4-chloranyl-N-[4-[4-(4-ethylphenyl)carbonylpiperazin-1-yl]phenyl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[4-[4-(4-ethylphenyl)carbonylpiperazin-1-yl]phenyl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[4-[4-[(4-ethylphenyl)-oxomethyl]-1-piperazinyl]phenyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[4-[4-(4-ethylbenzoyl)piperazino]phenyl]-3-nitro-benzamide Formula: C26H25ClN4O4 MolecularWeight: 492.9541

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C26H25ClN4O4/c1-2-18-3-5-19(6-4-18)26(33)30-15-13-29(14-16-30)22-10-8-21(9-11-22)28-25(32)20-7-12-23(27)24(17-20)31(34)35/h3-12,17H,2,13-16H2,1H3,(H,28,32)