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

Systemtic Name: N-[3-azanyl-1-[3-nitro-4-[4-(phenylmethyl)piperidin-1-yl]phenyl]-3-oxidanylidene-propyl]-3,5-dimethyl-benzamide Openeye Name: N-[3-amino-1-[4-(4-benzyl-1-piperidyl)-3-nitro-phenyl]-3-oxo-propyl]-3,5-dimethyl-benzamide CAS Name: N-[3-amino-1-[3-nitro-4-[4-(phenylmethyl)-1-piperidinyl]phenyl]-3-oxopropyl]-3,5-dimethylbenzamide IUPAC Name: N-[3-amino-1-[4-(4-benzylpiperidin-1-yl)-3-nitrophenyl]-3-oxopropyl]-3,5-dimethylbenzamide Traditional Name: N-[3-amino-1-[4-(4-benzylpiperidino)-3-nitro-phenyl]-3-keto-propyl]-3,5-dimethyl-benzamide Formula: C30H34N4O4 MolecularWeight: 514.61536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)NC(CC(=O)N)C2=CC(=C(C=C2)N3CCC(CC3)CC4=CC=CC=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)NC(CC(=O)N)C2=CC(=C(C=C2)N3CCC(CC3)CC4=CC=CC=C4)[N+](=O)[O-])C

InChI

InChI=1S/C30H34N4O4/c1-20-14-21(2)16-25(15-20)30(36)32-26(19-29(31)35)24-8-9-27(28(18-24)34(37)38)33-12-10-23(11-13-33)17-22-6-4-3-5-7-22/h3-9,14-16,18,23,26H,10-13,17,19H2,1-2H3,(H2,31,35)(H,32,36)