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

Systemtic Name: 3-(4-bromophenyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1H-pyrazole-5-carboxamide Openeye Name: 3-(4-bromophenyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1H-pyrazole-5-carboxamide CAS Name: 3-(4-bromophenyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1H-pyrazole-5-carboxamide IUPAC Name: 3-(4-bromophenyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1H-pyrazole-5-carboxamide Traditional Name: 3-(4-bromophenyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1H-pyrazole-5-carboxamide Formula: C19H16BrN3O3 MolecularWeight: 414.25264

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)C3=CC(=NN3)C4=CC=C(C=C4)Br)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)C3=CC(=NN3)C4=CC=C(C=C4)Br)OC1

InChI

InChI=1S/C19H16BrN3O3/c20-13-4-2-12(3-5-13)15-11-16(23-22-15)19(24)21-14-6-7-17-18(10-14)26-9-1-8-25-17/h2-7,10-11H,1,8-9H2,(H,21,24)(H,22,23)