1-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-3-(4-methylphenyl)propan-1-one

Systemtic Name: 1-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-3-(4-methylphenyl)propan-1-one Openeye Name: 1-[4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]-3-(p-tolyl)propan-1-one CAS Name: 1-[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]-3-(4-methylphenyl)-1-propanone IUPAC Name: 1-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]-3-(4-methylphenyl)propan-1-one Traditional Name: 1-[4-(4-chloro-2-nitro-phenyl)piperazino]-3-(p-tolyl)propan-1-one Formula: C20H22ClN3O3 MolecularWeight: 387.85998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN3O3/c1-15-2-4-16(5-3-15)6-9-20(25)23-12-10-22(11-13-23)18-8-7-17(21)14-19(18)24(26)27/h2-5,7-8,14H,6,9-13H2,1H3