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

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxo-1H-quinazoline-7-carboxylate IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-keto-1H-quinazoline-7-carboxylate Formula: C18H14N3O3- MolecularWeight: 320.32206

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=NC(=O)C4=C(N3)C=C(C=C4)C(=O)[O-]

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=NC(=O)C4=C(N3)C=C(C=C4)C(=O)[O-]

InChI

InChI=1S/C18H15N3O3/c22-16-14-6-5-12(17(23)24)9-15(14)19-18(20-16)21-8-7-11-3-1-2-4-13(11)10-21/h1-6,9H,7-8,10H2,(H,23,24)(H,19,20,22)/p-1