7-chloranyl-3-methyl-5-(4-methylpiperazin-1-yl)-3-(4-nitrophenyl)-1-(phenylmethyl)quinoline-2,4-dione

Systemtic Name: 7-chloranyl-3-methyl-5-(4-methylpiperazin-1-yl)-3-(4-nitrophenyl)-1-(phenylmethyl)quinoline-2,4-dione Openeye Name: 1-benzyl-7-chloro-3-methyl-5-(4-methylpiperazin-1-yl)-3-(4-nitrophenyl)quinoline-2,4-dione CAS Name: 7-chloro-3-methyl-5-(4-methyl-1-piperazinyl)-3-(4-nitrophenyl)-1-(phenylmethyl)quinoline-2,4-dione IUPAC Name: 1-benzyl-7-chloro-3-methyl-5-(4-methylpiperazin-1-yl)-3-(4-nitrophenyl)quinoline-2,4-dione Traditional Name: 1-benzyl-7-chloro-3-methyl-5-(4-methylpiperazino)-3-(4-nitrophenyl)quinoline-2,4-quinone Formula: C28H27ClN4O4 MolecularWeight: 518.99138

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)C2=C(C=C(C=C2N(C1=O)CC3=CC=CC=C3)Cl)N4CCN(CC4)C)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CC1(C(=O)C2=C(C=C(C=C2N(C1=O)CC3=CC=CC=C3)Cl)N4CCN(CC4)C)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C28H27ClN4O4/c1-28(20-8-10-22(11-9-20)33(36)37)26(34)25-23(31-14-12-30(2)13-15-31)16-21(29)17-24(25)32(27(28)35)18-19-6-4-3-5-7-19/h3-11,16-17H,12-15,18H2,1-2H3