(7aS,11aR)-7-(4-methylphenyl)-7a,8,9,10,11,11a-hexahydropyrimido[2,1-a]phthalazin-4-one

Systemtic Name: (7aS,11aR)-7-(4-methylphenyl)-7a,8,9,10,11,11a-hexahydropyrimido[2,1-a]phthalazin-4-one Openeye Name: (7aS,11aR)-7-(p-tolyl)-7a,8,9,10,11,11a-hexahydropyrimido[2,1-a]phthalazin-4-one CAS Name: (7aS,11aR)-7-(4-methylphenyl)-7a,8,9,10,11,11a-hexahydropyrimido[2,1-a]phthalazin-4-one IUPAC Name: (7aS,11aR)-7-(4-methylphenyl)-7a,8,9,10,11,11a-hexahydropyrimido[2,1-a]phthalazin-4-one Traditional Name: (7aS,11aR)-7-(p-tolyl)-7a,8,9,10,11,11a-hexahydropyrimido[2,1-a]phthalazin-4-one Formula: C18H19N3O MolecularWeight: 293.36296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN3C(=O)C=CN=C3C4C2CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN3C(=O)C=CN=C3[C@H]4[C@@H]2CCCC4

InChI

InChI=1S/C18H19N3O/c1-12-6-8-13(9-7-12)17-14-4-2-3-5-15(14)18-19-11-10-16(22)21(18)20-17/h6-11,14-15H,2-5H2,1H3/t14-,15+/m0/s1