3-(phenethylamino)-9-phenyl-4,8,9,10-tetrahydropyrimido[4,5-c]isoquinoline-1,7-dione

Systemtic Name: 3-(phenethylamino)-9-phenyl-4,8,9,10-tetrahydropyrimido[4,5-c]isoquinoline-1,7-dione Openeye Name: 3-(phenethylamino)-9-phenyl-4,8,9,10-tetrahydropyrimido[4,5-c]isoquinoline-1,7-dione CAS Name: 3-(phenethylamino)-9-phenyl-4,8,9,10-tetrahydropyrimido[4,5-c]isoquinoline-1,7-dione IUPAC Name: 3-(phenethylamino)-9-phenyl-4,8,9,10-tetrahydropyrimido[4,5-c]isoquinoline-1,7-dione Traditional Name: 3-(phenethylamino)-9-phenyl-4,8,9,10-tetrahydropyrimid[4,5-c]isoquinoline-1,7-quinone Formula: C25H22N4O2 MolecularWeight: 410.46778

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC(=O)C2=CN=C3C(=C21)C(=O)N=C(N3)NCCC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1C(CC(=O)C2=CN=C3C(=C21)C(=O)N=C(N3)NCCC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C25H22N4O2/c30-21-14-18(17-9-5-2-6-10-17)13-19-20(21)15-27-23-22(19)24(31)29-25(28-23)26-12-11-16-7-3-1-4-8-16/h1-10,15,18H,11-14H2,(H2,26,27,28,29,31)