4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-fluorophenyl)methyl]-2-phenyl-pyrimidine-5-carboxamide

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-fluorophenyl)methyl]-2-phenyl-pyrimidine-5-carboxamide Openeye Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-fluorophenyl)methyl]-2-phenyl-pyrimidine-5-carboxamide CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-fluorophenyl)methyl]-2-phenyl-5-pyrimidinecarboxamide IUPAC Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-fluorophenyl)methyl]-2-phenylpyrimidine-5-carboxamide Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-fluorobenzyl)-2-phenyl-pyrimidine-5-carboxamide Formula: C27H23FN4O MolecularWeight: 438.496123

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=NC(=NC=C3C(=O)NCC4=CC=C(C=C4)F)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=NC(=NC=C3C(=O)NCC4=CC=C(C=C4)F)C5=CC=CC=C5

InChI

InChI=1S/C27H23FN4O/c28-23-12-10-19(11-13-23)16-30-27(33)24-17-29-25(21-7-2-1-3-8-21)31-26(24)32-15-14-20-6-4-5-9-22(20)18-32/h1-13,17H,14-16,18H2,(H,30,33)