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

Systemtic Name: 3-(4-aminophenyl)-7-chloranyl-3-methyl-1-(phenylmethyl)-5-piperazin-1-yl-quinoline-2,4-dione Openeye Name: 3-(4-aminophenyl)-1-benzyl-7-chloro-3-methyl-5-piperazin-1-yl-quinoline-2,4-dione CAS Name: 3-(4-aminophenyl)-7-chloro-3-methyl-1-(phenylmethyl)-5-(1-piperazinyl)quinoline-2,4-dione IUPAC Name: 3-(4-aminophenyl)-1-benzyl-7-chloro-3-methyl-5-piperazin-1-ylquinoline-2,4-dione Traditional Name: 3-(4-aminophenyl)-1-benzyl-7-chloro-3-methyl-5-piperazino-quinoline-2,4-quinone Formula: C27H27ClN4O2 MolecularWeight: 474.98188

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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

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

InChI

InChI=1S/C27H27ClN4O2/c1-27(19-7-9-21(29)10-8-19)25(33)24-22(31-13-11-30-12-14-31)15-20(28)16-23(24)32(26(27)34)17-18-5-3-2-4-6-18/h2-10,15-16,30H,11-14,17,29H2,1H3