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

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-2-phenyl-pyrimidine-5-carboxamide Openeye Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-2-phenyl-pyrimidine-5-carboxamide CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-2-phenyl-5-pyrimidinecarboxamide IUPAC Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-2-phenylpyrimidine-5-carboxamide Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-2-phenyl-pyrimidine-5-carboxamide Formula: C22H22N4O MolecularWeight: 358.43628

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=CN=C(N=C1N2CCC3=CC=CC=C3C2)C4=CC=CC=C4

Isomeric SMILES

CCNC(=O)C1=CN=C(N=C1N2CCC3=CC=CC=C3C2)C4=CC=CC=C4

InChI

InChI=1S/C22H22N4O/c1-2-23-22(27)19-14-24-20(17-9-4-3-5-10-17)25-21(19)26-13-12-16-8-6-7-11-18(16)15-26/h3-11,14H,2,12-13,15H2,1H3,(H,23,27)