Compound Summary
Compound Information
BP 897
Compound Name: | BP 897 |
Compound CID: | 3038494 |
Synonyms: | BP 897 |
Iupac Name: | N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]naphthalene-2-carboxamide;hydrochloride |
InChI: | InChI=1S/C26H31N3O2.ClH/c1-31-25-11-5-4-10-24(25)29-18-16-28(17-19-29)15-7-6-14-27-26(30)23-13-12-21-8-2-3-9-22(21)20-23;/h2-5,8-13,20H,6-7,14-19H2,1H3,(H,27,30);1H |
InChIKey: | KFWJGUZIZAPFMX-UHFFFAOYSA-N |
Canonical Smiles: | COC1=CC=CC=C1N2CCN(CC2)CCCCNC(=O)C3=CC4=CC=CC=C4C=C3.Cl |
Isomeric Smiles: | COC1=CC=CC=C1N2CCN(CC2)CCCCNC(=O)C3=CC4=CC=CC=C4C=C3.Cl |
Molecular Weight: | 454 |
Molecular Formula: | C26H32ClN3O2 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
BP 897
Molecular Weight: | 454 |
Molecular Formula: | C26H32ClN3O2 |
Hydrogen Bond Donor Count: | 2 |
Hydrogen Bond Acceptor Count: | 4 |
Rotatable Bond Count: | 8 |
Heavy Atom Count: | 32 |
Complexity: | 549 |
Synonyms
BP 897
Experimental Data
BP 897
Experimental Data Visualization
BP 897
Statistics Data
BP 897
Statistics Data Visualization
BP 897
