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

Systemtic Name: 7-chloranyl-3-(4-hydroxyphenyl)-3-methyl-5-(4-methylpiperazin-1-yl)-1-[(3-nitrophenyl)methyl]quinoline-2,4-dione Openeye Name: 7-chloro-3-(4-hydroxyphenyl)-3-methyl-5-(4-methylpiperazin-1-yl)-1-[(3-nitrophenyl)methyl]quinoline-2,4-dione CAS Name: 7-chloro-3-(4-hydroxyphenyl)-3-methyl-5-(4-methyl-1-piperazinyl)-1-[(3-nitrophenyl)methyl]quinoline-2,4-dione IUPAC Name: 7-chloro-3-(4-hydroxyphenyl)-3-methyl-5-(4-methylpiperazin-1-yl)-1-[(3-nitrophenyl)methyl]quinoline-2,4-dione Traditional Name: 7-chloro-3-(4-hydroxyphenyl)-3-methyl-5-(4-methylpiperazino)-1-(3-nitrobenzyl)quinoline-2,4-quinone Formula: C28H27ClN4O5 MolecularWeight: 534.99078

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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)[N+](=O)[O-])Cl)N4CCN(CC4)C)C5=CC=C(C=C5)O

Isomeric SMILES

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

InChI

InChI=1S/C28H27ClN4O5/c1-28(19-6-8-22(34)9-7-19)26(35)25-23(31-12-10-30(2)11-13-31)15-20(29)16-24(25)32(27(28)36)17-18-4-3-5-21(14-18)33(37)38/h3-9,14-16,34H,10-13,17H2,1-2H3