1-[(2-chlorophenyl)methyl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3,5-dimethyl-pyrazole-4-carboxamide

Systemtic Name: 1-[(2-chlorophenyl)methyl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3,5-dimethyl-pyrazole-4-carboxamide Openeye Name: 1-[(2-chlorophenyl)methyl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3,5-dimethyl-pyrazole-4-carboxamide CAS Name: 1-[(2-chlorophenyl)methyl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3,5-dimethyl-4-pyrazolecarboxamide IUPAC Name: 1-[(2-chlorophenyl)methyl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3,5-dimethylpyrazole-4-carboxamide Traditional Name: 1-(2-chlorobenzyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3,5-dimethyl-pyrazole-4-carboxamide Formula: C22H22ClN3O3 MolecularWeight: 411.88138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2Cl)C)C(=O)NC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2Cl)C)C(=O)NC3=CC4=C(C=C3)OCCCO4

InChI

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