methyl 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-oxidanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-keto-1H-quinazoline-7-carboxylic acid methyl ester Formula: C20H19N3O3 MolecularWeight: 349.38316

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)CN3CCC4=CC=CC=C4C3

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)CN3CCC4=CC=CC=C4C3

InChI

InChI=1S/C20H19N3O3/c1-26-20(25)14-6-7-16-17(10-14)21-18(22-19(16)24)12-23-9-8-13-4-2-3-5-15(13)11-23/h2-7,10H,8-9,11-12H2,1H3,(H,21,22,24)