methyl (3R)-2-[2-[(2-chloranylpyridin-3-yl)amino]-2-oxidanylidene-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: methyl (3R)-2-[2-[(2-chloranylpyridin-3-yl)amino]-2-oxidanylidene-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl (3R)-2-[2-[(2-chloro-3-pyridyl)amino]-2-oxo-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (3R)-2-[2-[(2-chloropyridin-3-yl)amino]-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-[2-[(2-chloro-3-pyridyl)amino]-2-keto-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C18H18ClN3O3 MolecularWeight: 359.80682

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=CC=CC=C2CN1CC(=O)NC3=C(N=CC=C3)Cl

Isomeric SMILES

COC(=O)[C@H]1CC2=CC=CC=C2CN1CC(=O)NC3=C(N=CC=C3)Cl

InChI

InChI=1S/C18H18ClN3O3/c1-25-18(24)15-9-12-5-2-3-6-13(12)10-22(15)11-16(23)21-14-7-4-8-20-17(14)19/h2-8,15H,9-11H2,1H3,(H,21,23)/t15-/m1/s1