1-[4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-nitro-phenyl]-3-methyl-pyrrolidine-2,5-dione

Systemtic Name: 1-[4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-nitro-phenyl]-3-methyl-pyrrolidine-2,5-dione Openeye Name: 1-[4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-nitro-phenyl]-3-methyl-pyrrolidine-2,5-dione CAS Name: 1-[4-[4-[(4-chlorophenyl)methyl]-1-piperazinyl]-3-nitrophenyl]-3-methylpyrrolidine-2,5-dione IUPAC Name: 1-[4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-nitrophenyl]-3-methylpyrrolidine-2,5-dione Traditional Name: 1-[4-[4-(4-chlorobenzyl)piperazino]-3-nitro-phenyl]-3-methyl-pyrrolidine-2,5-quinone Formula: C22H23ClN4O4 MolecularWeight: 442.89542

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)N(C1=O)C2=CC(=C(C=C2)N3CCN(CC3)CC4=CC=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1CC(=O)N(C1=O)C2=CC(=C(C=C2)N3CCN(CC3)CC4=CC=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H23ClN4O4/c1-15-12-21(28)26(22(15)29)18-6-7-19(20(13-18)27(30)31)25-10-8-24(9-11-25)14-16-2-4-17(23)5-3-16/h2-7,13,15H,8-12,14H2,1H3