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

Systemtic Name: 1-[(3-aminophenyl)methyl]-7-chloranyl-3-(4-hydroxyphenyl)-3-methyl-5-piperazin-1-yl-quinoline-2,4-dione Openeye Name: 1-[(3-aminophenyl)methyl]-7-chloro-3-(4-hydroxyphenyl)-3-methyl-5-piperazin-1-yl-quinoline-2,4-dione CAS Name: 1-[(3-aminophenyl)methyl]-7-chloro-3-(4-hydroxyphenyl)-3-methyl-5-(1-piperazinyl)quinoline-2,4-dione IUPAC Name: 1-[(3-aminophenyl)methyl]-7-chloro-3-(4-hydroxyphenyl)-3-methyl-5-piperazin-1-ylquinoline-2,4-dione Traditional Name: 1-(3-aminobenzyl)-7-chloro-3-(4-hydroxyphenyl)-3-methyl-5-piperazino-quinoline-2,4-quinone Formula: C27H27ClN4O3 MolecularWeight: 490.98128

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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)Cl)N4CCNCC4)C5=CC=C(C=C5)O

Isomeric SMILES

CC1(C(=O)C2=C(C=C(C=C2N(C1=O)CC3=CC(=CC=C3)N)Cl)N4CCNCC4)C5=CC=C(C=C5)O

InChI

InChI=1S/C27H27ClN4O3/c1-27(18-5-7-21(33)8-6-18)25(34)24-22(31-11-9-30-10-12-31)14-19(28)15-23(24)32(26(27)35)16-17-3-2-4-20(29)13-17/h2-8,13-15,30,33H,9-12,16,29H2,1H3