N-[1-[(3-chlorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Systemtic Name: N-[1-[(3-chlorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Openeye Name: N-[1-[(3-chlorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide CAS Name: N-[1-[(3-chlorophenyl)methyl]-3,5-dimethyl-4-pyrazolyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide IUPAC Name: N-[1-[(3-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Traditional Name: N-[1-(3-chlorobenzyl)-3,5-dimethyl-pyrazol-4-yl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide Formula: C21H20ClN3O3 MolecularWeight: 397.8548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC(=CC=C2)Cl)C)NC(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC1=C(C(=NN1CC2=CC(=CC=C2)Cl)C)NC(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H20ClN3O3/c1-13-20(14(2)25(24-13)12-15-4-3-5-17(22)10-15)23-21(26)16-6-7-18-19(11-16)28-9-8-27-18/h3-7,10-11H,8-9,12H2,1-2H3,(H,23,26)