N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2-phenyl-quinoline-4-carboxamide hydrochloride

Systemtic Name: N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2-phenyl-quinoline-4-carboxamide hydrochloride Openeye Name: N-[3,5-dimethyl-1-(o-tolylmethyl)pyrazol-4-yl]-2-phenyl-quinoline-4-carboxamide hydrochloride CAS Name: N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]-4-pyrazolyl]-2-phenyl-4-quinolinecarboxamide hydrochloride IUPAC Name: N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2-phenylquinoline-4-carboxamide hydrochloride Traditional Name: N-[3,5-dimethyl-1-(2-methylbenzyl)pyrazol-4-yl]-2-phenyl-cinchoninamide hydrochloride Formula: C29H27ClN4O MolecularWeight: 483.00388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C(=C(C(=N2)C)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5)C.Cl

Isomeric SMILES

CC1=CC=CC=C1CN2C(=C(C(=N2)C)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5)C.Cl

InChI

InChI=1S/C29H26N4O.ClH/c1-19-11-7-8-14-23(19)18-33-21(3)28(20(2)32-33)31-29(34)25-17-27(22-12-5-4-6-13-22)30-26-16-10-9-15-24(25)26;/h4-17H,18H2,1-3H3,(H,31,34);1H