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

Systemtic Name: 7-chloranyl-3-methyl-3-(4-nitrophenyl)-1-(phenylmethyl)-5-piperazin-1-yl-quinoline-2,4-dione Openeye Name: 1-benzyl-7-chloro-3-methyl-3-(4-nitrophenyl)-5-piperazin-1-yl-quinoline-2,4-dione CAS Name: 7-chloro-3-methyl-3-(4-nitrophenyl)-1-(phenylmethyl)-5-(1-piperazinyl)quinoline-2,4-dione IUPAC Name: 1-benzyl-7-chloro-3-methyl-3-(4-nitrophenyl)-5-piperazin-1-ylquinoline-2,4-dione Traditional Name: 1-benzyl-7-chloro-3-methyl-3-(4-nitrophenyl)-5-piperazino-quinoline-2,4-quinone Formula: C27H25ClN4O4 MolecularWeight: 504.9648

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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)N4CCNCC4)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)N4CCNCC4)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H25ClN4O4/c1-27(19-7-9-21(10-8-19)32(35)36)25(33)24-22(30-13-11-29-12-14-30)15-20(28)16-23(24)31(26(27)34)17-18-5-3-2-4-6-18/h2-10,15-16,29H,11-14,17H2,1H3