1-[(7-chloranyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-oxidanylidene-quinolizine-3-carboxylic acid

Systemtic Name: 1-[(7-chloranyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-oxidanylidene-quinolizine-3-carboxylic acid Openeye Name: 1-[(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-oxo-quinolizine-3-carboxylic acid CAS Name: 1-[(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-oxo-3-quinolizinecarboxylic acid IUPAC Name: 1-[(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-oxoquinolizine-3-carboxylic acid Traditional Name: 1-[(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-keto-quinolizine-3-carboxylic acid Formula: C20H17ClN2O3 MolecularWeight: 368.81358

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)Cl)CC3=C4C=CC=CN4C(=O)C(=C3)C(=O)O

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)Cl)CC3=C4C=CC=CN4C(=O)C(=C3)C(=O)O

InChI

InChI=1S/C20H17ClN2O3/c21-16-5-4-13-6-8-22(11-14(13)9-16)12-15-10-17(20(25)26)19(24)23-7-2-1-3-18(15)23/h1-5,7,9-10H,6,8,11-12H2,(H,25,26)