[4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-methylphenyl)pyrimidin-5-yl]-(4-methylpiperazin-1-yl)methanone

Systemtic Name: [4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-methylphenyl)pyrimidin-5-yl]-(4-methylpiperazin-1-yl)methanone Openeye Name: [4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(p-tolyl)pyrimidin-5-yl]-(4-methylpiperazin-1-yl)methanone CAS Name: [4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-methylphenyl)-5-pyrimidinyl]-(4-methyl-1-piperazinyl)methanone IUPAC Name: [4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-methylphenyl)pyrimidin-5-yl]-(4-methylpiperazin-1-yl)methanone Traditional Name: [4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(p-tolyl)pyrimidin-5-yl]-(4-methylpiperazino)methanone Formula: C26H29N5O MolecularWeight: 427.54136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC=C(C(=N2)N3CCC4=CC=CC=C4C3)C(=O)N5CCN(CC5)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC=C(C(=N2)N3CCC4=CC=CC=C4C3)C(=O)N5CCN(CC5)C

InChI

InChI=1S/C26H29N5O/c1-19-7-9-21(10-8-19)24-27-17-23(26(32)30-15-13-29(2)14-16-30)25(28-24)31-12-11-20-5-3-4-6-22(20)18-31/h3-10,17H,11-16,18H2,1-2H3