2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methyl-5-(phenylmethyl)-1H-pyrimidin-4-one

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methyl-5-(phenylmethyl)-1H-pyrimidin-4-one Openeye Name: 5-benzyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methyl-1H-pyrimidin-4-one CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methyl-5-(phenylmethyl)-1H-pyrimidin-4-one IUPAC Name: 5-benzyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methyl-1H-pyrimidin-4-one Traditional Name: 5-benzyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methyl-1H-pyrimidin-4-one Formula: C21H21N3O MolecularWeight: 331.41094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)N2CCC3=CC=CC=C3C2)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)N=C(N1)N2CCC3=CC=CC=C3C2)CC4=CC=CC=C4

InChI

InChI=1S/C21H21N3O/c1-15-19(13-16-7-3-2-4-8-16)20(25)23-21(22-15)24-12-11-17-9-5-6-10-18(17)14-24/h2-10H,11-14H2,1H3,(H,22,23,25)