Catalog Number:
AG00A442
Chemical Name:
Benzyl 4-chloro-5,6,8,9-tetrahydropyrimido[4,5-d]azepine-7-carboxylate
CAS Number:
1251001-37-2
Molecular Formula:
C16H16ClN3O2
Molecular Weight:
317.7701
MDL Number:
MFCD11111521
IUPAC Name:
benzyl 4-chloro-5,6,8,9-tetrahydropyrimido[4,5-d]azepine-7-carboxylate
InChI:
InChI=1S/C16H16ClN3O2/c17-15-13-6-8-20(9-7-14(13)18-11-19-15)16(21)22-10-12-4-2-1-3-5-12/h1-5,11H,6-10H2
InChI Key:
SCOCDDMKQDHYSW-UHFFFAOYSA-N
SMILES:
O=C(N1CCc2c(CC1)ncnc2Cl)OCc1ccccc1
