(3S)-2-[2-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-2-[2-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-[2-(4-oxo-1H-quinazolin-2-yl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-[2-(4-oxo-1H-quinazolin-2-yl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-[2-(4-oxo-1H-quinazolin-2-yl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-2-[2-(4-keto-1H-quinazolin-2-yl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C20H20N4O2 MolecularWeight: 348.3984

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)CCC3=NC(=O)C4=CC=CC=C4N3)C(=O)N

Isomeric SMILES

C1[C@H](N(CC2=CC=CC=C21)CCC3=NC(=O)C4=CC=CC=C4N3)C(=O)N

InChI

InChI=1S/C20H20N4O2/c21-19(25)17-11-13-5-1-2-6-14(13)12-24(17)10-9-18-22-16-8-4-3-7-15(16)20(26)23-18/h1-8,17H,9-12H2,(H2,21,25)(H,22,23,26)/t17-/m0/s1