methyl 1-butyl-5H-[1,2,3]triazolo[5,1-a][2]benzazepine-6-carboxylate

Systemtic Name: methyl 1-butyl-5H-[1,2,3]triazolo[5,1-a][2]benzazepine-6-carboxylate Openeye Name: methyl 1-butyl-5H-triazolo[5,1-a][2]benzazepine-6-carboxylate CAS Name: 1-butyl-5H-triazolo[5,1-a][2]benzazepine-6-carboxylic acid methyl ester IUPAC Name: methyl 1-butyl-5H-triazolo[5,1-a][2]benzazepine-6-carboxylate Traditional Name: 1-butyl-5H-triazolo[5,1-a][2]benzazepine-6-carboxylic acid methyl ester Formula: C17H19N3O2 MolecularWeight: 297.35166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C2C3=CC=CC=C3C=C(CN2N=N1)C(=O)OC

Isomeric SMILES

CCCCC1=C2C3=CC=CC=C3C=C(CN2N=N1)C(=O)OC

InChI

InChI=1S/C17H19N3O2/c1-3-4-9-15-16-14-8-6-5-7-12(14)10-13(17(21)22-2)11-20(16)19-18-15/h5-8,10H,3-4,9,11H2,1-2H3