5-(2-phenylbutanoylamino)-2-[4-(phenylmethyl)piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide

Systemtic Name: 5-(2-phenylbutanoylamino)-2-[4-(phenylmethyl)piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide Openeye Name: 2-(4-benzyl-1-piperidyl)-5-(2-phenylbutanoylamino)-N-(3-pyridylmethyl)benzamide CAS Name: 5-[(1-oxo-2-phenylbutyl)amino]-2-[4-(phenylmethyl)-1-piperidinyl]-N-(3-pyridinylmethyl)benzamide IUPAC Name: 2-(4-benzylpiperidin-1-yl)-5-(2-phenylbutanoylamino)-N-(pyridin-3-ylmethyl)benzamide Traditional Name: 2-(4-benzylpiperidino)-5-(2-phenylbutanoylamino)-N-(3-pyridylmethyl)benzamide Formula: C35H38N4O2 MolecularWeight: 546.70182

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)NC2=CC(=C(C=C2)N3CCC(CC3)CC4=CC=CC=C4)C(=O)NCC5=CN=CC=C5

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)NC2=CC(=C(C=C2)N3CCC(CC3)CC4=CC=CC=C4)C(=O)NCC5=CN=CC=C5

InChI

InChI=1S/C35H38N4O2/c1-2-31(29-13-7-4-8-14-29)35(41)38-30-15-16-33(32(23-30)34(40)37-25-28-12-9-19-36-24-28)39-20-17-27(18-21-39)22-26-10-5-3-6-11-26/h3-16,19,23-24,27,31H,2,17-18,20-22,25H2,1H3,(H,37,40)(H,38,41)