8-chloranyl-2-ethyl-4-[(1-methylpyrazol-4-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine

Systemtic Name: 8-chloranyl-2-ethyl-4-[(1-methylpyrazol-4-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 8-chloro-2-ethyl-4-[(1-methylpyrazol-4-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 8-chloro-2-ethyl-4-[(1-methyl-4-pyrazolyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 8-chloro-2-ethyl-4-[(1-methylpyrazol-4-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 8-chloro-2-ethyl-4-[(1-methylpyrazol-4-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine Formula: C16H20ClN3O MolecularWeight: 305.8025

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(CC2=C(O1)C=C(C=C2)Cl)CC3=CN(N=C3)C

Isomeric SMILES

CCC1CN(CC2=C(O1)C=C(C=C2)Cl)CC3=CN(N=C3)C

InChI

InChI=1S/C16H20ClN3O/c1-3-15-11-20(9-12-7-18-19(2)8-12)10-13-4-5-14(17)6-16(13)21-15/h4-8,15H,3,9-11H2,1-2H3