N'-(2-bromophenyl)carbonyl-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazole-4-carbohydrazide

Systemtic Name: N'-(2-bromophenyl)carbonyl-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazole-4-carbohydrazide Openeye Name: N'-(2-bromobenzoyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazole-4-carbohydrazide CAS Name: N'-[(2-bromophenyl)-oxomethyl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-4-pyrazolecarbohydrazide IUPAC Name: N'-(2-bromobenzoyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpyrazole-4-carbohydrazide Traditional Name: N'-(2-bromobenzoyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazole-4-carbohydrazide Formula: C21H19BrN4O4 MolecularWeight: 471.30396

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)C(=O)NNC(=O)C4=CC=CC=C4Br

Isomeric SMILES

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)C(=O)NNC(=O)C4=CC=CC=C4Br

InChI

InChI=1S/C21H19BrN4O4/c1-26-12-15(21(28)24-23-20(27)14-5-2-3-6-16(14)22)19(25-26)13-7-8-17-18(11-13)30-10-4-9-29-17/h2-3,5-8,11-12H,4,9-10H2,1H3,(H,23,27)(H,24,28)