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

Systemtic Name: 5-[(3-nitrophenyl)carbonylamino]-2-[4-(phenylmethyl)piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide Openeye Name: 2-(4-benzyl-1-piperidyl)-5-[(3-nitrobenzoyl)amino]-N-(3-pyridylmethyl)benzamide CAS Name: 5-[[(3-nitrophenyl)-oxomethyl]amino]-2-[4-(phenylmethyl)-1-piperidinyl]-N-(3-pyridinylmethyl)benzamide IUPAC Name: 2-(4-benzylpiperidin-1-yl)-5-[(3-nitrobenzoyl)amino]-N-(pyridin-3-ylmethyl)benzamide Traditional Name: 2-(4-benzylpiperidino)-5-[(3-nitrobenzoyl)amino]-N-(3-pyridylmethyl)benzamide Formula: C32H31N5O4 MolecularWeight: 549.61964

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C3=C(C=C(C=C3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)NCC5=CN=CC=C5

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C3=C(C=C(C=C3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)NCC5=CN=CC=C5

InChI

InChI=1S/C32H31N5O4/c38-31(26-9-4-10-28(19-26)37(40)41)35-27-11-12-30(29(20-27)32(39)34-22-25-8-5-15-33-21-25)36-16-13-24(14-17-36)18-23-6-2-1-3-7-23/h1-12,15,19-21,24H,13-14,16-18,22H2,(H,34,39)(H,35,38)