methyl 4-[2-azanyl-3-cyano-5-oxidanylidene-1-(pyridin-3-ylcarbonylamino)-4,6,7,8-tetrahydroquinolin-4-yl]benzoate

Systemtic Name: methyl 4-[2-azanyl-3-cyano-5-oxidanylidene-1-(pyridin-3-ylcarbonylamino)-4,6,7,8-tetrahydroquinolin-4-yl]benzoate Openeye Name: methyl 4-[2-amino-3-cyano-5-oxo-1-(pyridine-3-carbonylamino)-4,6,7,8-tetrahydroquinolin-4-yl]benzoate CAS Name: 4-[2-amino-3-cyano-5-oxo-1-[[oxo(3-pyridinyl)methyl]amino]-4,6,7,8-tetrahydroquinolin-4-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-amino-3-cyano-5-oxo-1-(pyridine-3-carbonylamino)-4,6,7,8-tetrahydroquinolin-4-yl]benzoate Traditional Name: 4-(2-amino-3-cyano-5-keto-1-nicotinamido-4,6,7,8-tetrahydroquinolin-4-yl)benzoic acid methyl ester Formula: C24H21N5O4 MolecularWeight: 443.45464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2C(=C(N(C3=C2C(=O)CCC3)NC(=O)C4=CN=CC=C4)N)C#N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2C(=C(N(C3=C2C(=O)CCC3)NC(=O)C4=CN=CC=C4)N)C#N

InChI

InChI=1S/C24H21N5O4/c1-33-24(32)15-9-7-14(8-10-15)20-17(12-25)22(26)29(18-5-2-6-19(30)21(18)20)28-23(31)16-4-3-11-27-13-16/h3-4,7-11,13,20H,2,5-6,26H2,1H3,(H,28,31)