N-[3-chloranyl-2-[4-(4-methylphenyl)carbonylpiperazin-1-yl]phenyl]-4-ethoxy-3-nitro-benzamide

Systemtic Name: N-[3-chloranyl-2-[4-(4-methylphenyl)carbonylpiperazin-1-yl]phenyl]-4-ethoxy-3-nitro-benzamide Openeye Name: N-[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]-4-ethoxy-3-nitro-benzamide CAS Name: N-[3-chloro-2-[4-[(4-methylphenyl)-oxomethyl]-1-piperazinyl]phenyl]-4-ethoxy-3-nitrobenzamide IUPAC Name: N-[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]-4-ethoxy-3-nitrobenzamide Traditional Name: N-[3-chloro-2-(4-p-toluoylpiperazino)phenyl]-4-ethoxy-3-nitro-benzamide Formula: C27H27ClN4O5 MolecularWeight: 522.98008

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC2=C(C(=CC=C2)Cl)N3CCN(CC3)C(=O)C4=CC=C(C=C4)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC2=C(C(=CC=C2)Cl)N3CCN(CC3)C(=O)C4=CC=C(C=C4)C)[N+](=O)[O-]

InChI

InChI=1S/C27H27ClN4O5/c1-3-37-24-12-11-20(17-23(24)32(35)36)26(33)29-22-6-4-5-21(28)25(22)30-13-15-31(16-14-30)27(34)19-9-7-18(2)8-10-19/h4-12,17H,3,13-16H2,1-2H3,(H,29,33)