4-(azepan-1-ylmethyl)-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]benzamide

Systemtic Name: 4-(azepan-1-ylmethyl)-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]benzamide Openeye Name: 4-(azepan-1-ylmethyl)-N-[1-[4-(3-methyl-1-piperidyl)phenyl]ethyl]benzamide CAS Name: 4-(1-azepanylmethyl)-N-[1-[4-(3-methyl-1-piperidinyl)phenyl]ethyl]benzamide IUPAC Name: 4-(azepan-1-ylmethyl)-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]benzamide Traditional Name: 4-(azepan-1-ylmethyl)-N-[1-[4-(3-methylpiperidino)phenyl]ethyl]benzamide Formula: C28H39N3O MolecularWeight: 433.62876

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=CC=C(C=C2)C(C)NC(=O)C3=CC=C(C=C3)CN4CCCCCC4

Isomeric SMILES

CC1CCCN(C1)C2=CC=C(C=C2)C(C)NC(=O)C3=CC=C(C=C3)CN4CCCCCC4

InChI

InChI=1S/C28H39N3O/c1-22-8-7-19-31(20-22)27-15-13-25(14-16-27)23(2)29-28(32)26-11-9-24(10-12-26)21-30-17-5-3-4-6-18-30/h9-16,22-23H,3-8,17-21H2,1-2H3,(H,29,32)