(3S)-2-[(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-2-[(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-2-[(7-chloro-4-keto-1H-quinazolin-2-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C19H17ClN4O2 MolecularWeight: 368.81688

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)CC3=NC(=O)C4=C(N3)C=C(C=C4)Cl)C(=O)N

Isomeric SMILES

C1[C@H](N(CC2=CC=CC=C21)CC3=NC(=O)C4=C(N3)C=C(C=C4)Cl)C(=O)N

InChI

InChI=1S/C19H17ClN4O2/c20-13-5-6-14-15(8-13)22-17(23-19(14)26)10-24-9-12-4-2-1-3-11(12)7-16(24)18(21)25/h1-6,8,16H,7,9-10H2,(H2,21,25)(H,22,23,26)/t16-/m0/s1