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

Systemtic Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Openeye Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide CAS Name: N-[(1,3-diphenyl-4-pyrazolyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide IUPAC Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Traditional Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide Formula: C26H23N3O3 MolecularWeight: 425.47912

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)NCC3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)NCC3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5)OC1

InChI

InChI=1S/C26H23N3O3/c30-26(20-12-13-23-24(16-20)32-15-7-14-31-23)27-17-21-18-29(22-10-5-2-6-11-22)28-25(21)19-8-3-1-4-9-19/h1-6,8-13,16,18H,7,14-15,17H2,(H,27,30)