4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-pyrazol-4-yl]methyl]-3,5-dihydro-2H-1,4-benzoxazepine

Systemtic Name: 4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-pyrazol-4-yl]methyl]-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-pyrazol-4-yl]methyl]-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-4-pyrazolyl]methyl]-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazol-4-yl]methyl]-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-pyrazol-4-yl]methyl]-3,5-dihydro-2H-1,4-benzoxazepine Formula: C22H23N3O3 MolecularWeight: 377.43632

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCO3)CN4CCOC5=CC=CC=C5C4

Isomeric SMILES

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCO3)CN4CCOC5=CC=CC=C5C4

InChI

InChI=1S/C22H23N3O3/c1-24-13-18(15-25-8-9-26-19-5-3-2-4-17(19)14-25)22(23-24)16-6-7-20-21(12-16)28-11-10-27-20/h2-7,12-13H,8-11,14-15H2,1H3