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

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxidanylidene-1H-quinazoline-7-carboxylic acid Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxo-1H-quinazoline-7-carboxylic acid CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxo-1H-quinazoline-7-carboxylic acid IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxo-1H-quinazoline-7-carboxylic acid Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-keto-1H-quinazoline-7-carboxylic acid Formula: C18H15N3O3 MolecularWeight: 321.33

Click to see the large picture

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)