4-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl]-3,5-dihydro-2H-1,4-benzoxazepine

Systemtic Name: 4-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl]-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 4-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl]-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 4-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl]-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 4-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl]-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 4-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl]-3,5-dihydro-2H-1,4-benzoxazepine Formula: C20H19N3O3 MolecularWeight: 349.38316

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=CC=CC=C2CN1CC3=C(NN=C3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1COC2=CC=CC=C2CN1CC3=C(NN=C3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C20H19N3O3/c1-2-4-17-15(3-1)11-23(7-8-24-17)12-16-10-21-22-20(16)14-5-6-18-19(9-14)26-13-25-18/h1-6,9-10H,7-8,11-13H2,(H,21,22)