2-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-oxidanylidene-quinazolin-3-yl]ethanenitrile

Systemtic Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-oxidanylidene-quinazolin-3-yl]ethanenitrile Openeye Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-oxo-quinazolin-3-yl]acetonitrile CAS Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-oxo-3-quinazolinyl]acetonitrile IUPAC Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-oxoquinazolin-3-yl]acetonitrile Traditional Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-keto-quinazolin-3-yl]acetonitrile Formula: C20H18N4O MolecularWeight: 330.38312

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)CC3=NC4=CC=CC=C4C(=O)N3CC#N

Isomeric SMILES

C1CN(CC2=CC=CC=C21)CC3=NC4=CC=CC=C4C(=O)N3CC#N

InChI

InChI=1S/C20H18N4O/c21-10-12-24-19(22-18-8-4-3-7-17(18)20(24)25)14-23-11-9-15-5-1-2-6-16(15)13-23/h1-8H,9,11-14H2