2-chloranyl-N-[4-[4-(3,5-dimethoxyphenyl)carbonylpiperazin-1-yl]phenyl]-4-nitro-benzamide

Systemtic Name: 2-chloranyl-N-[4-[4-(3,5-dimethoxyphenyl)carbonylpiperazin-1-yl]phenyl]-4-nitro-benzamide Openeye Name: 2-chloro-N-[4-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]phenyl]-4-nitro-benzamide CAS Name: 2-chloro-N-[4-[4-[(3,5-dimethoxyphenyl)-oxomethyl]-1-piperazinyl]phenyl]-4-nitrobenzamide IUPAC Name: 2-chloro-N-[4-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]phenyl]-4-nitrobenzamide Traditional Name: 2-chloro-N-[4-[4-(3,5-dimethoxybenzoyl)piperazino]phenyl]-4-nitro-benzamide Formula: C26H25ClN4O6 MolecularWeight: 524.9529

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)C4=C(C=C(C=C4)[N+](=O)[O-])Cl)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)C4=C(C=C(C=C4)[N+](=O)[O-])Cl)OC

InChI

InChI=1S/C26H25ClN4O6/c1-36-21-13-17(14-22(16-21)37-2)26(33)30-11-9-29(10-12-30)19-5-3-18(4-6-19)28-25(32)23-8-7-20(31(34)35)15-24(23)27/h3-8,13-16H,9-12H2,1-2H3,(H,28,32)