4-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)benzamide

Systemtic Name: 4-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)benzamide Openeye Name: 4-(4-chloro-3,5-dimethyl-pyrazol-1-yl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)benzamide CAS Name: 4-(4-chloro-3,5-dimethyl-1-pyrazolyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)benzamide IUPAC Name: 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)benzamide Traditional Name: 4-(4-chloro-3,5-dimethyl-pyrazol-1-yl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)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)NC3=CC4=C(C=C3)OCCCO4)C)Cl

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)NC3=CC4=C(C=C3)OCCCO4)C)Cl

InChI

InChI=1S/C21H20ClN3O3/c1-13-20(22)14(2)25(24-13)17-7-4-15(5-8-17)21(26)23-16-6-9-18-19(12-16)28-11-3-10-27-18/h4-9,12H,3,10-11H2,1-2H3,(H,23,26)