4-methyl-6-(3-phenoxyphenyl)-4-(pyrimidin-5-ylmethyl)-1,2-dihydroisoquinolin-3-one

Systemtic Name: 4-methyl-6-(3-phenoxyphenyl)-4-(pyrimidin-5-ylmethyl)-1,2-dihydroisoquinolin-3-one Openeye Name: 4-methyl-6-(3-phenoxyphenyl)-4-(pyrimidin-5-ylmethyl)-1,2-dihydroisoquinolin-3-one CAS Name: 4-methyl-6-(3-phenoxyphenyl)-4-(5-pyrimidinylmethyl)-1,2-dihydroisoquinolin-3-one IUPAC Name: 4-methyl-6-(3-phenoxyphenyl)-4-(pyrimidin-5-ylmethyl)-1,2-dihydroisoquinolin-3-one Traditional Name: 4-methyl-6-(3-phenoxyphenyl)-4-(5-pyrimidylmethyl)-1,2-dihydroisoquinolin-3-one Formula: C27H23N3O2 MolecularWeight: 421.49042

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(CNC1=O)C=CC(=C2)C3=CC(=CC=C3)OC4=CC=CC=C4)CC5=CN=CN=C5

Isomeric SMILES

CC1(C2=C(CNC1=O)C=CC(=C2)C3=CC(=CC=C3)OC4=CC=CC=C4)CC5=CN=CN=C5

InChI

InChI=1S/C27H23N3O2/c1-27(14-19-15-28-18-29-16-19)25-13-21(10-11-22(25)17-30-26(27)31)20-6-5-9-24(12-20)32-23-7-3-2-4-8-23/h2-13,15-16,18H,14,17H2,1H3,(H,30,31)