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

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-methylphenyl)-N-(phenylmethyl)pyrimidine-5-carboxamide Openeye Name: N-benzyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(m-tolyl)pyrimidine-5-carboxamide CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-methylphenyl)-N-(phenylmethyl)-5-pyrimidinecarboxamide IUPAC Name: N-benzyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-methylphenyl)pyrimidine-5-carboxamide Traditional Name: N-benzyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(m-tolyl)pyrimidine-5-carboxamide Formula: C28H26N4O MolecularWeight: 434.53224

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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=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C28H26N4O/c1-20-8-7-13-23(16-20)26-29-18-25(28(33)30-17-21-9-3-2-4-10-21)27(31-26)32-15-14-22-11-5-6-12-24(22)19-32/h2-13,16,18H,14-15,17,19H2,1H3,(H,30,33)