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

Systemtic Name: 1-(4-bromophenyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methyl-pyrazole-4-carboxamide Openeye Name: 1-(4-bromophenyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methyl-pyrazole-4-carboxamide CAS Name: 1-(4-bromophenyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methyl-4-pyrazolecarboxamide IUPAC Name: 1-(4-bromophenyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methylpyrazole-4-carboxamide Traditional Name: 1-(4-bromophenyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methyl-pyrazole-4-carboxamide Formula: C20H18BrN3O3 MolecularWeight: 428.27922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18BrN3O3/c1-13-17(12-22-24(13)16-6-3-14(21)4-7-16)20(25)23-15-5-8-18-19(11-15)27-10-2-9-26-18/h3-8,11-12H,2,9-10H2,1H3,(H,23,25)