N-phenethyl-2-[4-(phenylmethyl)piperidin-1-yl]-5-(3-phenylpropanoylamino)benzamide

Systemtic Name: N-phenethyl-2-[4-(phenylmethyl)piperidin-1-yl]-5-(3-phenylpropanoylamino)benzamide Openeye Name: 2-(4-benzyl-1-piperidyl)-N-phenethyl-5-(3-phenylpropanoylamino)benzamide CAS Name: 5-[(1-oxo-3-phenylpropyl)amino]-N-phenethyl-2-[4-(phenylmethyl)-1-piperidinyl]benzamide IUPAC Name: 2-(4-benzylpiperidin-1-yl)-N-phenethyl-5-(3-phenylpropanoylamino)benzamide Traditional Name: 2-(4-benzylpiperidino)-5-(hydrocinnamoylamino)-N-phenethyl-benzamide Formula: C36H39N3O2 MolecularWeight: 545.71376

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C3=C(C=C(C=C3)NC(=O)CCC4=CC=CC=C4)C(=O)NCCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C3=C(C=C(C=C3)NC(=O)CCC4=CC=CC=C4)C(=O)NCCC5=CC=CC=C5

InChI

InChI=1S/C36H39N3O2/c40-35(19-16-28-10-4-1-5-11-28)38-32-17-18-34(33(27-32)36(41)37-23-20-29-12-6-2-7-13-29)39-24-21-31(22-25-39)26-30-14-8-3-9-15-30/h1-15,17-18,27,31H,16,19-26H2,(H,37,41)(H,38,40)