4-[4-(4-chlorophenyl)carbonylpiperazin-1-yl]-1-[(4-fluorophenyl)methyl]-6-methyl-3-nitro-quinolin-2-one

Systemtic Name: 4-[4-(4-chlorophenyl)carbonylpiperazin-1-yl]-1-[(4-fluorophenyl)methyl]-6-methyl-3-nitro-quinolin-2-one Openeye Name: 4-[4-(4-chlorobenzoyl)piperazin-1-yl]-1-[(4-fluorophenyl)methyl]-6-methyl-3-nitro-quinolin-2-one CAS Name: 4-[4-[(4-chlorophenyl)-oxomethyl]-1-piperazinyl]-1-[(4-fluorophenyl)methyl]-6-methyl-3-nitro-2-quinolinone IUPAC Name: 4-[4-(4-chlorobenzoyl)piperazin-1-yl]-1-[(4-fluorophenyl)methyl]-6-methyl-3-nitroquinolin-2-one Traditional Name: 4-[4-(4-chlorobenzoyl)piperazino]-1-(4-fluorobenzyl)-6-methyl-3-nitro-carbostyril Formula: C28H24ClFN4O4 MolecularWeight: 534.965963

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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)[N+](=O)[O-])CC5=CC=C(C=C5)F

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=O)C(=C2N3CCN(CC3)C(=O)C4=CC=C(C=C4)Cl)[N+](=O)[O-])CC5=CC=C(C=C5)F

InChI

InChI=1S/C28H24ClFN4O4/c1-18-2-11-24-23(16-18)25(26(34(37)38)28(36)33(24)17-19-3-9-22(30)10-4-19)31-12-14-32(15-13-31)27(35)20-5-7-21(29)8-6-20/h2-11,16H,12-15,17H2,1H3