ethyl 11-methoxy-7-methyl-5-oxidanylidene-2H-[1,2,4]triazepino[3,4-a]isoquinoline-3-carboxylate

Systemtic Name: ethyl 11-methoxy-7-methyl-5-oxidanylidene-2H-[1,2,4]triazepino[3,4-a]isoquinoline-3-carboxylate Openeye Name: ethyl 11-methoxy-7-methyl-5-oxo-2H-[1,2,4]triazepino[3,4-a]isoquinoline-3-carboxylate CAS Name: 11-methoxy-7-methyl-5-oxo-2H-[1,2,4]triazepino[3,4-a]isoquinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 11-methoxy-7-methyl-5-oxo-2H-[1,2,4]triazepino[3,4-a]isoquinoline-3-carboxylate Traditional Name: 5-keto-11-methoxy-7-methyl-2H-[1,2,4]triazepin[3,4-a]isoquinoline-3-carboxylic acid ethyl ester Formula: C17H17N3O4 MolecularWeight: 327.33458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=O)N2C(=CC3=C(C2=NN1)C=C(C=C3)OC)C

Isomeric SMILES

CCOC(=O)C1=CC(=O)N2C(=CC3=C(C2=NN1)C=C(C=C3)OC)C

InChI

InChI=1S/C17H17N3O4/c1-4-24-17(22)14-9-15(21)20-10(2)7-11-5-6-12(23-3)8-13(11)16(20)19-18-14/h5-9,18H,4H2,1-3H3