6-chloranyl-N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide

Systemtic Name: 6-chloranyl-N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Openeye Name: 6-chloro-N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide CAS Name: 6-chloro-N-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide IUPAC Name: 6-chloro-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Traditional Name: 6-chloro-N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide Formula: C22H22ClN3O3 MolecularWeight: 411.88138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC(=O)C3=CC4=C(C(=C3)Cl)OCCCO4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC(=O)C3=CC4=C(C(=C3)Cl)OCCCO4

InChI

InChI=1S/C22H22ClN3O3/c1-14-18(15(2)26(25-14)17-7-4-3-5-8-17)13-24-22(27)16-11-19(23)21-20(12-16)28-9-6-10-29-21/h3-5,7-8,11-12H,6,9-10,13H2,1-2H3,(H,24,27)