4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-methylphenyl)-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-methylphenyl)-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide Openeye Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(m-tolyl)-N-(3-pyridylmethyl)pyrimidine-5-carboxamide CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-methylphenyl)-N-(3-pyridinylmethyl)-5-pyrimidinecarboxamide IUPAC Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-methylphenyl)-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(m-tolyl)-N-(3-pyridylmethyl)pyrimidine-5-carboxamide Formula: C27H25N5O MolecularWeight: 435.5203

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC=C(C(=N2)N3CCC4=CC=CC=C4C3)C(=O)NCC5=CN=CC=C5

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC=C(C(=N2)N3CCC4=CC=CC=C4C3)C(=O)NCC5=CN=CC=C5

InChI

InChI=1S/C27H25N5O/c1-19-6-4-10-22(14-19)25-29-17-24(27(33)30-16-20-7-5-12-28-15-20)26(31-25)32-13-11-21-8-2-3-9-23(21)18-32/h2-10,12,14-15,17H,11,13,16,18H2,1H3,(H,30,33)