N-[3-azanyl-1-[3-nitro-4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]-3-oxidanylidene-propyl]-3,5-dimethyl-benzamide

Systemtic Name: N-[3-azanyl-1-[3-nitro-4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]-3-oxidanylidene-propyl]-3,5-dimethyl-benzamide Openeye Name: N-[3-amino-1-[3-nitro-4-[4-(2-pyridyl)piperazin-1-yl]phenyl]-3-oxo-propyl]-3,5-dimethyl-benzamide CAS Name: N-[3-amino-1-[3-nitro-4-[4-(2-pyridinyl)-1-piperazinyl]phenyl]-3-oxopropyl]-3,5-dimethylbenzamide IUPAC Name: N-[3-amino-1-[3-nitro-4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]-3-oxopropyl]-3,5-dimethylbenzamide Traditional Name: N-[3-amino-3-keto-1-[3-nitro-4-[4-(2-pyridyl)piperazino]phenyl]propyl]-3,5-dimethyl-benzamide Formula: C27H30N6O4 MolecularWeight: 502.5649

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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)N3CCN(CC3)C4=CC=CC=N4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)NC(CC(=O)N)C2=CC(=C(C=C2)N3CCN(CC3)C4=CC=CC=N4)[N+](=O)[O-])C

InChI

InChI=1S/C27H30N6O4/c1-18-13-19(2)15-21(14-18)27(35)30-22(17-25(28)34)20-6-7-23(24(16-20)33(36)37)31-9-11-32(12-10-31)26-5-3-4-8-29-26/h3-8,13-16,22H,9-12,17H2,1-2H3,(H2,28,34)(H,30,35)