N-[3-azanyl-1-[3-nitro-4-[4-(phenylmethyl)piperidin-1-yl]phenyl]-3-oxidanylidene-propyl]-2,5-dimethoxy-benzamide

Systemtic Name: N-[3-azanyl-1-[3-nitro-4-[4-(phenylmethyl)piperidin-1-yl]phenyl]-3-oxidanylidene-propyl]-2,5-dimethoxy-benzamide Openeye Name: N-[3-amino-1-[4-(4-benzyl-1-piperidyl)-3-nitro-phenyl]-3-oxo-propyl]-2,5-dimethoxy-benzamide CAS Name: N-[3-amino-1-[3-nitro-4-[4-(phenylmethyl)-1-piperidinyl]phenyl]-3-oxopropyl]-2,5-dimethoxybenzamide IUPAC Name: N-[3-amino-1-[4-(4-benzylpiperidin-1-yl)-3-nitrophenyl]-3-oxopropyl]-2,5-dimethoxybenzamide Traditional Name: N-[3-amino-1-[4-(4-benzylpiperidino)-3-nitro-phenyl]-3-keto-propyl]-2,5-dimethoxy-benzamide Formula: C30H34N4O6 MolecularWeight: 546.61416

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C(=O)NC(CC(=O)N)C2=CC(=C(C=C2)N3CCC(CC3)CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C(=O)NC(CC(=O)N)C2=CC(=C(C=C2)N3CCC(CC3)CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C30H34N4O6/c1-39-23-9-11-28(40-2)24(18-23)30(36)32-25(19-29(31)35)22-8-10-26(27(17-22)34(37)38)33-14-12-21(13-15-33)16-20-6-4-3-5-7-20/h3-11,17-18,21,25H,12-16,19H2,1-2H3,(H2,31,35)(H,32,36)