3-(1H-benzimidazol-2-yl)-7-chloranyl-6-(2-methylphenyl)-1-(octan-3-ylamino)quinolin-2-one

Systemtic Name: 3-(1H-benzimidazol-2-yl)-7-chloranyl-6-(2-methylphenyl)-1-(octan-3-ylamino)quinolin-2-one Openeye Name: 3-(1H-benzimidazol-2-yl)-7-chloro-1-(1-ethylhexylamino)-6-(o-tolyl)quinolin-2-one CAS Name: 3-(1H-benzimidazol-2-yl)-7-chloro-6-(2-methylphenyl)-1-(octan-3-ylamino)-2-quinolinone IUPAC Name: 3-(1H-benzimidazol-2-yl)-7-chloro-6-(2-methylphenyl)-1-(octan-3-ylamino)quinolin-2-one Traditional Name: 3-(1H-benzimidazol-2-yl)-7-chloro-1-(1-ethylhexylamino)-6-(o-tolyl)carbostyril Formula: C31H33ClN4O MolecularWeight: 513.07292

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)NN1C2=CC(=C(C=C2C=C(C1=O)C3=NC4=CC=CC=C4N3)C5=CC=CC=C5C)Cl

Isomeric SMILES

CCCCCC(CC)NN1C2=CC(=C(C=C2C=C(C1=O)C3=NC4=CC=CC=C4N3)C5=CC=CC=C5C)Cl

InChI

InChI=1S/C31H33ClN4O/c1-4-6-7-13-22(5-2)35-36-29-19-26(32)24(23-14-9-8-12-20(23)3)17-21(29)18-25(31(36)37)30-33-27-15-10-11-16-28(27)34-30/h8-12,14-19,22,35H,4-7,13H2,1-3H3,(H,33,34)