(3S)-2-[2-(4-oxidanylidenequinazolin-3-yl)ethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: (3S)-2-[2-(4-oxidanylidenequinazolin-3-yl)ethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: (3S)-2-[2-(4-oxoquinazolin-3-yl)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3S)-2-[1-oxo-2-(4-oxo-3-quinazolinyl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate IUPAC Name: (3S)-2-[2-(4-oxoquinazolin-3-yl)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3S)-2-[2-(4-ketoquinazolin-3-yl)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Formula: C20H16N3O4- MolecularWeight: 362.35874

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)C(=O)CN3C=NC4=CC=CC=C4C3=O)C(=O)[O-]

Isomeric SMILES

C1[C@H](N(CC2=CC=CC=C21)C(=O)CN3C=NC4=CC=CC=C4C3=O)C(=O)[O-]

InChI

InChI=1S/C20H17N3O4/c24-18(11-22-12-21-16-8-4-3-7-15(16)19(22)25)23-10-14-6-2-1-5-13(14)9-17(23)20(26)27/h1-8,12,17H,9-11H2,(H,26,27)/p-1/t17-/m0/s1