[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(4-methyl-3-nitro-phenyl)methanone

Systemtic Name: [4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(4-methyl-3-nitro-phenyl)methanone Openeye Name: [4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(4-methyl-3-nitro-phenyl)methanone CAS Name: [4-[1-(2-chlorophenyl)ethyl]-1-piperazinyl]-(4-methyl-3-nitrophenyl)methanone IUPAC Name: [4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(4-methyl-3-nitrophenyl)methanone Traditional Name: [4-[1-(2-chlorophenyl)ethyl]piperazino]-(4-methyl-3-nitro-phenyl)methanone Formula: C20H22ClN3O3 MolecularWeight: 387.85998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C(C)C3=CC=CC=C3Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C(C)C3=CC=CC=C3Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H22ClN3O3/c1-14-7-8-16(13-19(14)24(26)27)20(25)23-11-9-22(10-12-23)15(2)17-5-3-4-6-18(17)21/h3-8,13,15H,9-12H2,1-2H3