N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide

Systemtic Name: N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Openeye Name: N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide CAS Name: N-[2-[(4-bromophenyl)methyl]-3-pyrazolyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide IUPAC Name: N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Traditional Name: N-[2-(4-bromobenzyl)pyrazol-3-yl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide Formula: C20H18BrN3O3 MolecularWeight: 428.27922

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)NC3=CC=NN3CC4=CC=C(C=C4)Br)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)NC3=CC=NN3CC4=CC=C(C=C4)Br)OC1

InChI

InChI=1S/C20H18BrN3O3/c21-16-5-2-14(3-6-16)13-24-19(8-9-22-24)23-20(25)15-4-7-17-18(12-15)27-11-1-10-26-17/h2-9,12H,1,10-11,13H2,(H,23,25)