2-(2,4-dimethylphenyl)-N-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methyl]quinoline-4-carboxamide

Systemtic Name: 2-(2,4-dimethylphenyl)-N-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methyl]quinoline-4-carboxamide Openeye Name: 2-(2,4-dimethylphenyl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridyl]methyl]quinoline-4-carboxamide CAS Name: 2-(2,4-dimethylphenyl)-N-[[6-(4-methyl-1-piperazinyl)-3-pyridinyl]methyl]-4-quinolinecarboxamide IUPAC Name: 2-(2,4-dimethylphenyl)-N-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methyl]quinoline-4-carboxamide Traditional Name: 2-(2,4-dimethylphenyl)-N-[[6-(4-methylpiperazino)-3-pyridyl]methyl]cinchoninamide Formula: C29H31N5O MolecularWeight: 465.58934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCC4=CN=C(C=C4)N5CCN(CC5)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCC4=CN=C(C=C4)N5CCN(CC5)C)C

InChI

InChI=1S/C29H31N5O/c1-20-8-10-23(21(2)16-20)27-17-25(24-6-4-5-7-26(24)32-27)29(35)31-19-22-9-11-28(30-18-22)34-14-12-33(3)13-15-34/h4-11,16-18H,12-15,19H2,1-3H3,(H,31,35)