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

Systemtic Name: N-[[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Openeye Name: N-[(1-benzyl-3-phenyl-pyrazol-4-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide CAS Name: N-[[3-phenyl-1-(phenylmethyl)-4-pyrazolyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide IUPAC Name: N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Traditional Name: N-[(1-benzyl-3-phenyl-pyrazol-4-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide Formula: C27H25N3O3 MolecularWeight: 439.5057

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)NCC3=CN(N=C3C4=CC=CC=C4)CC5=CC=CC=C5)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)NCC3=CN(N=C3C4=CC=CC=C4)CC5=CC=CC=C5)OC1

InChI

InChI=1S/C27H25N3O3/c31-27(22-12-13-24-25(16-22)33-15-7-14-32-24)28-17-23-19-30(18-20-8-3-1-4-9-20)29-26(23)21-10-5-2-6-11-21/h1-6,8-13,16,19H,7,14-15,17-18H2,(H,28,31)