4-[4-(3,4-dichlorophenyl)carbonylpiperazin-1-yl]-1,6-dimethyl-3-nitro-quinolin-2-one

Systemtic Name: 4-[4-(3,4-dichlorophenyl)carbonylpiperazin-1-yl]-1,6-dimethyl-3-nitro-quinolin-2-one Openeye Name: 4-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-1,6-dimethyl-3-nitro-quinolin-2-one CAS Name: 4-[4-[(3,4-dichlorophenyl)-oxomethyl]-1-piperazinyl]-1,6-dimethyl-3-nitro-2-quinolinone IUPAC Name: 4-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-1,6-dimethyl-3-nitroquinolin-2-one Traditional Name: 4-[4-(3,4-dichlorobenzoyl)piperazino]-1,6-dimethyl-3-nitro-carbostyril Formula: C22H20Cl2N4O4 MolecularWeight: 475.3246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=O)C(=C2N3CCN(CC3)C(=O)C4=CC(=C(C=C4)Cl)Cl)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=O)C(=C2N3CCN(CC3)C(=O)C4=CC(=C(C=C4)Cl)Cl)[N+](=O)[O-])C

InChI

InChI=1S/C22H20Cl2N4O4/c1-13-3-6-18-15(11-13)19(20(28(31)32)22(30)25(18)2)26-7-9-27(10-8-26)21(29)14-4-5-16(23)17(24)12-14/h3-6,11-12H,7-10H2,1-2H3