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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N1CCC2=C(C1)C(=O)N=C(N2)CC3=CC=CC(=C3)C

Isomeric SMILES

CCCCCC(=O)N1CCC2=C(C1)C(=O)N=C(N2)CC3=CC=CC(=C3)C

InChI

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