2-(azepan-1-ylcarbonyl)-3-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enenitrile

Systemtic Name: 2-(azepan-1-ylcarbonyl)-3-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enenitrile Openeye Name: 2-(azepane-1-carbonyl)-3-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enenitrile CAS Name: 2-[1-azepanyl(oxo)methyl]-3-[3-(4-chlorophenyl)-1-phenyl-4-pyrazolyl]-2-propenenitrile IUPAC Name: 2-(azepane-1-carbonyl)-3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]prop-2-enenitrile Traditional Name: 2-(azepane-1-carbonyl)-3-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]acrylonitrile Formula: C25H23ClN4O MolecularWeight: 430.92932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23ClN4O/c26-22-12-10-19(11-13-22)24-21(18-30(28-24)23-8-4-3-5-9-23)16-20(17-27)25(31)29-14-6-1-2-7-15-29/h3-5,8-13,16,18H,1-2,6-7,14-15H2