ethyl 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-oxidanylidene-pyrido[4,3-d]pyrimidin-6-yl]benzoate

Systemtic Name: ethyl 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-oxidanylidene-pyrido[4,3-d]pyrimidin-6-yl]benzoate Openeye Name: ethyl 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-oxo-pyrido[4,3-d]pyrimidin-6-yl]benzoate CAS Name: 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-oxo-6-pyrido[4,3-d]pyrimidinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-oxopyrido[4,3-d]pyrimidin-6-yl]benzoate Traditional Name: 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-keto-pyrido[4,3-d]pyrimidin-6-yl]benzoic acid ethyl ester Formula: C25H22N4O3 MolecularWeight: 426.46718

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C=CC3=NC(=NC=C3C2=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C=CC3=NC(=NC=C3C2=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C25H22N4O3/c1-2-32-24(31)18-7-9-20(10-8-18)29-14-12-22-21(23(29)30)15-26-25(27-22)28-13-11-17-5-3-4-6-19(17)16-28/h3-10,12,14-15H,2,11,13,16H2,1H3