Catalog Number:
AG00HT7W
Chemical Name:
Benzyl 3-chloro-4-cyano-6,7-dihydro-5H-pyrido[3,4-c]azepine-8(9H)-carboxylate
CAS Number:
1341039-99-3
Molecular Formula:
C18H16ClN3O2
Molecular Weight:
341.7915
MDL Number:
MFCD22209665
IUPAC Name:
benzyl 3-chloro-4-cyano-5,6,7,9-tetrahydropyrido[3,4-c]azepine-8-carboxylate
InChI:
InChI=1S/C18H16ClN3O2/c19-17-16(9-20)15-7-4-8-22(11-14(15)10-21-17)18(23)24-12-13-5-2-1-3-6-13/h1-3,5-6,10H,4,7-8,11-12H2
InChI Key:
ZKVDSPUYSDDKRW-UHFFFAOYSA-N
SMILES:
N#Cc1c(Cl)ncc2c1CCCN(C2)C(=O)OCc1ccccc1
