8-methyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2-pyridin-4-yl-quinoline-4-carboxamide

Systemtic Name: 8-methyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2-pyridin-4-yl-quinoline-4-carboxamide Openeye Name: 8-methyl-N-[1-(o-tolylmethyl)pyrazol-4-yl]-2-(4-pyridyl)quinoline-4-carboxamide CAS Name: 8-methyl-N-[1-[(2-methylphenyl)methyl]-4-pyrazolyl]-2-pyridin-4-yl-4-quinolinecarboxamide IUPAC Name: 8-methyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2-pyridin-4-ylquinoline-4-carboxamide Traditional Name: 8-methyl-N-[1-(2-methylbenzyl)pyrazol-4-yl]-2-(4-pyridyl)cinchoninamide Formula: C27H23N5O MolecularWeight: 433.50442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C=C(C=N2)NC(=O)C3=CC(=NC4=C3C=CC=C4C)C5=CC=NC=C5

Isomeric SMILES

CC1=CC=CC=C1CN2C=C(C=N2)NC(=O)C3=CC(=NC4=C3C=CC=C4C)C5=CC=NC=C5

InChI

InChI=1S/C27H23N5O/c1-18-6-3-4-8-21(18)16-32-17-22(15-29-32)30-27(33)24-14-25(20-10-12-28-13-11-20)31-26-19(2)7-5-9-23(24)26/h3-15,17H,16H2,1-2H3,(H,30,33)