4-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)benzamide

Systemtic Name: 4-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)benzamide Openeye Name: 4-(4-chloro-3,5-dimethyl-pyrazol-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)benzamide CAS Name: 4-(4-chloro-3,5-dimethyl-1-pyrazolyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)benzamide IUPAC Name: 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)benzamide Traditional Name: 4-(4-chloro-3,5-dimethyl-pyrazol-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)benzamide Formula: C21H20ClN3O3 MolecularWeight: 397.8548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)NCC3=CC4=C(C=C3)OCCO4)C)Cl

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)NCC3=CC4=C(C=C3)OCCO4)C)Cl

InChI

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