N-[3-chloranyl-4-(4-ethanoylpiperazin-1-yl)phenyl]-3-nitro-4-piperidin-1-yl-benzamide

Systemtic Name: N-[3-chloranyl-4-(4-ethanoylpiperazin-1-yl)phenyl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[4-(4-acetylpiperazin-1-yl)-3-chloro-phenyl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[4-(4-acetyl-1-piperazinyl)-3-chlorophenyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[4-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[4-(4-acetylpiperazino)-3-chloro-phenyl]-3-nitro-4-piperidino-benzamide Formula: C24H28ClN5O4 MolecularWeight: 485.96322

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-])Cl

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-])Cl

InChI

InChI=1S/C24H28ClN5O4/c1-17(31)27-11-13-29(14-12-27)21-8-6-19(16-20(21)25)26-24(32)18-5-7-22(23(15-18)30(33)34)28-9-3-2-4-10-28/h5-8,15-16H,2-4,9-14H2,1H3,(H,26,32)