4-chloranyl-N-[4-(4-methylpiperidin-1-yl)-3-[(phenylmethyl)carbamoyl]phenyl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[4-(4-methylpiperidin-1-yl)-3-[(phenylmethyl)carbamoyl]phenyl]-3-nitro-benzamide Openeye Name: N-[3-(benzylcarbamoyl)-4-(4-methyl-1-piperidyl)phenyl]-4-chloro-3-nitro-benzamide CAS Name: 4-chloro-N-[4-(4-methyl-1-piperidinyl)-3-[oxo-[(phenylmethyl)amino]methyl]phenyl]-3-nitrobenzamide IUPAC Name: N-[3-(benzylcarbamoyl)-4-(4-methylpiperidin-1-yl)phenyl]-4-chloro-3-nitrobenzamide Traditional Name: N-[3-(benzylcarbamoyl)-4-(4-methylpiperidino)phenyl]-4-chloro-3-nitro-benzamide Formula: C27H27ClN4O4 MolecularWeight: 506.98068

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C(=O)NCC4=CC=CC=C4

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C27H27ClN4O4/c1-18-11-13-31(14-12-18)24-10-8-21(16-22(24)27(34)29-17-19-5-3-2-4-6-19)30-26(33)20-7-9-23(28)25(15-20)32(35)36/h2-10,15-16,18H,11-14,17H2,1H3,(H,29,34)(H,30,33)