methyl (3R)-2-[2-(5-cyano-3,4-dimethyl-6-oxidanylidene-pyridazin-1-yl)ethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: methyl (3R)-2-[2-(5-cyano-3,4-dimethyl-6-oxidanylidene-pyridazin-1-yl)ethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl (3R)-2-[2-(5-cyano-3,4-dimethyl-6-oxo-pyridazin-1-yl)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-[2-(5-cyano-3,4-dimethyl-6-oxo-1-pyridazinyl)-1-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (3R)-2-[2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-[2-(5-cyano-6-keto-3,4-dimethyl-pyridazin-1-yl)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C20H20N4O4 MolecularWeight: 380.3972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N=C1C)CC(=O)N2CC3=CC=CC=C3CC2C(=O)OC)C#N

Isomeric SMILES

CC1=C(C(=O)N(N=C1C)CC(=O)N2CC3=CC=CC=C3C[C@@H]2C(=O)OC)C#N

InChI

InChI=1S/C20H20N4O4/c1-12-13(2)22-24(19(26)16(12)9-21)11-18(25)23-10-15-7-5-4-6-14(15)8-17(23)20(27)28-3/h4-7,17H,8,10-11H2,1-3H3/t17-/m1/s1