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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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