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

Systemtic Name: 7-chloranyl-3-(4-hydroxyphenyl)-1-[(2-hydroxyphenyl)methyl]-3-methyl-5-piperazin-1-yl-quinoline-2,4-dione Openeye Name: 7-chloro-3-(4-hydroxyphenyl)-1-[(2-hydroxyphenyl)methyl]-3-methyl-5-piperazin-1-yl-quinoline-2,4-dione CAS Name: 7-chloro-3-(4-hydroxyphenyl)-1-[(2-hydroxyphenyl)methyl]-3-methyl-5-(1-piperazinyl)quinoline-2,4-dione IUPAC Name: 7-chloro-3-(4-hydroxyphenyl)-1-[(2-hydroxyphenyl)methyl]-3-methyl-5-piperazin-1-ylquinoline-2,4-dione Traditional Name: 7-chloro-3-(4-hydroxyphenyl)-3-methyl-5-piperazino-1-salicyl-quinoline-2,4-quinone Formula: C27H26ClN3O4 MolecularWeight: 491.96604

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)C2=C(C=C(C=C2N(C1=O)CC3=CC=CC=C3O)Cl)N4CCNCC4)C5=CC=C(C=C5)O

Isomeric SMILES

CC1(C(=O)C2=C(C=C(C=C2N(C1=O)CC3=CC=CC=C3O)Cl)N4CCNCC4)C5=CC=C(C=C5)O

InChI

InChI=1S/C27H26ClN3O4/c1-27(18-6-8-20(32)9-7-18)25(34)24-21(30-12-10-29-11-13-30)14-19(28)15-22(24)31(26(27)35)16-17-4-2-3-5-23(17)33/h2-9,14-15,29,32-33H,10-13,16H2,1H3