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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)N2CCN(CC2)CCC3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N2CCN(CC2)CCC3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

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