1-(azepan-1-yl)-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]prop-2-en-1-one

Systemtic Name: 1-(azepan-1-yl)-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]prop-2-en-1-one Openeye Name: 1-(azepan-1-yl)-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]prop-2-en-1-one CAS Name: 1-(1-azepanyl)-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-4-pyrazolyl]-2-propen-1-one IUPAC Name: 1-(azepan-1-yl)-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]prop-2-en-1-one Traditional Name: 1-(azepan-1-yl)-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]prop-2-en-1-one Formula: C26H27N3O3 MolecularWeight: 429.51088

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C=CC2=CN(N=C2C3=CC4=C(C=C3)OCCO4)C5=CC=CC=C5

Isomeric SMILES

C1CCCN(CC1)C(=O)C=CC2=CN(N=C2C3=CC4=C(C=C3)OCCO4)C5=CC=CC=C5

InChI

InChI=1S/C26H27N3O3/c30-25(28-14-6-1-2-7-15-28)13-11-21-19-29(22-8-4-3-5-9-22)27-26(21)20-10-12-23-24(18-20)32-17-16-31-23/h3-5,8-13,18-19H,1-2,6-7,14-17H2