6-hexanoyl-2-[(2-methylphenyl)methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

Systemtic Name: 6-hexanoyl-2-[(2-methylphenyl)methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one Openeye Name: 6-hexanoyl-2-(o-tolylmethyl)-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one CAS Name: 2-[(2-methylphenyl)methyl]-6-(1-oxohexyl)-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one IUPAC Name: 6-hexanoyl-2-[(2-methylphenyl)methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one Traditional Name: 6-caproyl-2-(2-methylbenzyl)-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one Formula: C21H27N3O2 MolecularWeight: 353.45798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N1CCC2=C(C1)C(=O)N=C(N2)CC3=CC=CC=C3C

Isomeric SMILES

CCCCCC(=O)N1CCC2=C(C1)C(=O)N=C(N2)CC3=CC=CC=C3C

InChI

InChI=1S/C21H27N3O2/c1-3-4-5-10-20(25)24-12-11-18-17(14-24)21(26)23-19(22-18)13-16-9-7-6-8-15(16)2/h6-9H,3-5,10-14H2,1-2H3,(H,22,23,26)