2-cyclopentyl-7-methyl-4-(4-methylphenyl)-5,6,8,9-tetrahydropyrimido[4,5-d]azepine

Systemtic Name: 2-cyclopentyl-7-methyl-4-(4-methylphenyl)-5,6,8,9-tetrahydropyrimido[4,5-d]azepine Openeye Name: 2-cyclopentyl-7-methyl-4-(p-tolyl)-5,6,8,9-tetrahydropyrimido[4,5-d]azepine CAS Name: 2-cyclopentyl-7-methyl-4-(4-methylphenyl)-5,6,8,9-tetrahydropyrimido[4,5-d]azepine IUPAC Name: 2-cyclopentyl-7-methyl-4-(4-methylphenyl)-5,6,8,9-tetrahydropyrimido[4,5-d]azepine Traditional Name: 2-cyclopentyl-7-methyl-4-(p-tolyl)-5,6,8,9-tetrahydropyrimid[4,5-d]azepine Formula: C21H27N3 MolecularWeight: 321.45918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C3CCN(CCC3=NC(=N2)C4CCCC4)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C3CCN(CCC3=NC(=N2)C4CCCC4)C

InChI

InChI=1S/C21H27N3/c1-15-7-9-16(10-8-15)20-18-11-13-24(2)14-12-19(18)22-21(23-20)17-5-3-4-6-17/h7-10,17H,3-6,11-14H2,1-2H3