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

Systemtic Name: methyl 9-(3-azanyl-3-oxidanylidene-propyl)-2-chloranyl-3,6-dimethyl-7,8-dihydro-5H-pyrido[3,2-c]azepine-9-carboxylate Openeye Name: methyl 9-(3-amino-3-oxo-propyl)-2-chloro-3,6-dimethyl-7,8-dihydro-5H-pyrido[3,2-c]azepine-9-carboxylate CAS Name: 9-(3-amino-3-oxopropyl)-2-chloro-3,6-dimethyl-7,8-dihydro-5H-pyrido[3,2-c]azepine-9-carboxylic acid methyl ester IUPAC Name: methyl 9-(3-amino-3-oxopropyl)-2-chloro-3,6-dimethyl-7,8-dihydro-5H-pyrido[3,2-c]azepine-9-carboxylate Traditional Name: 9-(3-amino-3-keto-propyl)-2-chloro-3,6-dimethyl-7,8-dihydro-5H-pyrid[3,2-c]azepine-9-carboxylic acid methyl ester Formula: C16H22ClN3O3 MolecularWeight: 339.81718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22ClN3O3/c1-10-8-11-9-20(2)7-6-16(15(22)23-3,5-4-12(18)21)13(11)19-14(10)17/h8H,4-7,9H2,1-3H3,(H2,18,21)