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

Systemtic Name: N'-(3-chlorophenyl)carbonyl-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazole-4-carbohydrazide Openeye Name: N'-(3-chlorobenzoyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazole-4-carbohydrazide CAS Name: N'-[(3-chlorophenyl)-oxomethyl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-4-pyrazolecarbohydrazide IUPAC Name: N'-(3-chlorobenzoyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpyrazole-4-carbohydrazide Traditional Name: N'-(3-chlorobenzoyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazole-4-carbohydrazide Formula: C21H19ClN4O4 MolecularWeight: 426.85296

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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=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClN4O4/c1-26-12-16(21(28)24-23-20(27)14-4-2-5-15(22)10-14)19(25-26)13-6-7-17-18(11-13)30-9-3-8-29-17/h2,4-7,10-12H,3,8-9H2,1H3,(H,23,27)(H,24,28)