2-(azepan-1-ylcarbonyl)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enenitrile

Systemtic Name: 2-(azepan-1-ylcarbonyl)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enenitrile Openeye Name: 2-(azepane-1-carbonyl)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enenitrile CAS Name: 2-[1-azepanyl(oxo)methyl]-3-(1,3-diphenyl-4-pyrazolyl)-2-propenenitrile IUPAC Name: 2-(azepane-1-carbonyl)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enenitrile Traditional Name: 2-(azepane-1-carbonyl)-3-(1,3-diphenylpyrazol-4-yl)acrylonitrile Formula: C25H24N4O MolecularWeight: 396.48426

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C(=CC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)C#N

Isomeric SMILES

C1CCCN(CC1)C(=O)C(=CC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)C#N

InChI

InChI=1S/C25H24N4O/c26-18-21(25(30)28-15-9-1-2-10-16-28)17-22-19-29(23-13-7-4-8-14-23)27-24(22)20-11-5-3-6-12-20/h3-8,11-14,17,19H,1-2,9-10,15-16H2