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

Systemtic Name: 1-(azepan-1-yl)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-en-1-one Openeye Name: 1-(azepan-1-yl)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-en-1-one CAS Name: 1-(1-azepanyl)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-4-pyrazolyl]-2-propen-1-one IUPAC Name: 1-(azepan-1-yl)-3-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-en-1-one Traditional Name: 1-(azepan-1-yl)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-en-1-one Formula: C26H29N3O3 MolecularWeight: 431.52676

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C=C2C=CC(=O)N3CCCCCC3)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C=C2C=CC(=O)N3CCCCCC3)C4=CC=CC=C4)OC

InChI

InChI=1S/C26H29N3O3/c1-31-23-14-12-20(18-24(23)32-2)26-21(19-29(27-26)22-10-6-5-7-11-22)13-15-25(30)28-16-8-3-4-9-17-28/h5-7,10-15,18-19H,3-4,8-9,16-17H2,1-2H3