methyl 2-chloranyl-9-(2-cyanoethyl)-3,6-dimethyl-7,8-dihydro-5H-pyrido[3,2-c]azepine-9-carboxylate

Systemtic Name: methyl 2-chloranyl-9-(2-cyanoethyl)-3,6-dimethyl-7,8-dihydro-5H-pyrido[3,2-c]azepine-9-carboxylate Openeye Name: methyl 2-chloro-9-(2-cyanoethyl)-3,6-dimethyl-7,8-dihydro-5H-pyrido[3,2-c]azepine-9-carboxylate CAS Name: 2-chloro-9-(2-cyanoethyl)-3,6-dimethyl-7,8-dihydro-5H-pyrido[3,2-c]azepine-9-carboxylic acid methyl ester IUPAC Name: methyl 2-chloro-9-(2-cyanoethyl)-3,6-dimethyl-7,8-dihydro-5H-pyrido[3,2-c]azepine-9-carboxylate Traditional Name: 2-chloro-9-(2-cyanoethyl)-3,6-dimethyl-7,8-dihydro-5H-pyrid[3,2-c]azepine-9-carboxylic acid methyl ester Formula: C16H20ClN3O2 MolecularWeight: 321.8019

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C2C(=C1)CN(CCC2(CCC#N)C(=O)OC)C)Cl

Isomeric SMILES

CC1=C(N=C2C(=C1)CN(CCC2(CCC#N)C(=O)OC)C)Cl

InChI

InChI=1S/C16H20ClN3O2/c1-11-9-12-10-20(2)8-6-16(5-4-7-18,15(21)22-3)13(12)19-14(11)17/h9H,4-6,8,10H2,1-3H3