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

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N'-(2-methylphenyl)carbonyl-pyrazole-4-carbohydrazide Openeye Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N'-(2-methylbenzoyl)pyrazole-4-carbohydrazide CAS Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N'-[(2-methylphenyl)-oxomethyl]-4-pyrazolecarbohydrazide IUPAC Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N'-(2-methylbenzoyl)pyrazole-4-carbohydrazide Traditional Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N'-o-toluoyl-pyrazole-4-carbohydrazide Formula: C22H22N4O4 MolecularWeight: 406.43448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NNC(=O)C2=CN(N=C2C3=CC4=C(C=C3)OCCCO4)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)NNC(=O)C2=CN(N=C2C3=CC4=C(C=C3)OCCCO4)C

InChI

InChI=1S/C22H22N4O4/c1-14-6-3-4-7-16(14)21(27)23-24-22(28)17-13-26(2)25-20(17)15-8-9-18-19(12-15)30-11-5-10-29-18/h3-4,6-9,12-13H,5,10-11H2,1-2H3,(H,23,27)(H,24,28)