3-(3-bromanyl-4-phenylmethoxy-phenyl)-7-chloranyl-3-methyl-5-(4-methylpiperazin-1-yl)-1-(phenylmethyl)quinoline-2,4-dione

Systemtic Name: 3-(3-bromanyl-4-phenylmethoxy-phenyl)-7-chloranyl-3-methyl-5-(4-methylpiperazin-1-yl)-1-(phenylmethyl)quinoline-2,4-dione Openeye Name: 1-benzyl-3-(4-benzyloxy-3-bromo-phenyl)-7-chloro-3-methyl-5-(4-methylpiperazin-1-yl)quinoline-2,4-dione CAS Name: 3-(3-bromo-4-phenylmethoxyphenyl)-7-chloro-3-methyl-5-(4-methyl-1-piperazinyl)-1-(phenylmethyl)quinoline-2,4-dione IUPAC Name: 1-benzyl-3-(3-bromo-4-phenylmethoxyphenyl)-7-chloro-3-methyl-5-(4-methylpiperazin-1-yl)quinoline-2,4-dione Traditional Name: 3-(4-benzoxy-3-bromo-phenyl)-1-benzyl-7-chloro-3-methyl-5-(4-methylpiperazino)quinoline-2,4-quinone Formula: C35H33BrClN3O3 MolecularWeight: 659.01182

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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)N4CCN(CC4)C)C5=CC(=C(C=C5)OCC6=CC=CC=C6)Br

Isomeric SMILES

CC1(C(=O)C2=C(C=C(C=C2N(C1=O)CC3=CC=CC=C3)Cl)N4CCN(CC4)C)C5=CC(=C(C=C5)OCC6=CC=CC=C6)Br

InChI

InChI=1S/C35H33BrClN3O3/c1-35(26-13-14-31(28(36)19-26)43-23-25-11-7-4-8-12-25)33(41)32-29(39-17-15-38(2)16-18-39)20-27(37)21-30(32)40(34(35)42)22-24-9-5-3-6-10-24/h3-14,19-21H,15-18,22-23H2,1-2H3