N-[3-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-1-(4-methylphenyl)-3-oxidanylidene-propyl]ethanamide

Systemtic Name: N-[3-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-1-(4-methylphenyl)-3-oxidanylidene-propyl]ethanamide Openeye Name: N-[3-[4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]-3-oxo-1-(p-tolyl)propyl]acetamide CAS Name: N-[3-[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]-1-(4-methylphenyl)-3-oxopropyl]acetamide IUPAC Name: N-[3-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]-1-(4-methylphenyl)-3-oxopropyl]acetamide Traditional Name: N-[3-[4-(4-chloro-2-nitro-phenyl)piperazino]-3-keto-1-(p-tolyl)propyl]acetamide Formula: C22H25ClN4O4 MolecularWeight: 444.9113

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC(=O)N2CCN(CC2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-])NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C(CC(=O)N2CCN(CC2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-])NC(=O)C

InChI

InChI=1S/C22H25ClN4O4/c1-15-3-5-17(6-4-15)19(24-16(2)28)14-22(29)26-11-9-25(10-12-26)20-8-7-18(23)13-21(20)27(30)31/h3-8,13,19H,9-12,14H2,1-2H3,(H,24,28)