(E)-3-[1-[(3-chlorophenyl)methyl]-3-phenyl-pyrazol-4-yl]-2-cyano-N-cycloheptyl-prop-2-enamide

Systemtic Name: (E)-3-[1-[(3-chlorophenyl)methyl]-3-phenyl-pyrazol-4-yl]-2-cyano-N-cycloheptyl-prop-2-enamide Openeye Name: (E)-3-[1-[(3-chlorophenyl)methyl]-3-phenyl-pyrazol-4-yl]-2-cyano-N-cycloheptyl-prop-2-enamide CAS Name: (E)-3-[1-[(3-chlorophenyl)methyl]-3-phenyl-4-pyrazolyl]-2-cyano-N-cycloheptyl-2-propenamide IUPAC Name: (E)-3-[1-[(3-chlorophenyl)methyl]-3-phenylpyrazol-4-yl]-2-cyano-N-cycloheptylprop-2-enamide Traditional Name: (E)-3-[1-(3-chlorobenzyl)-3-phenyl-pyrazol-4-yl]-2-cyano-N-cycloheptyl-acrylamide Formula: C27H27ClN4O MolecularWeight: 458.98248

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=O)C(=CC2=CN(N=C2C3=CC=CC=C3)CC4=CC(=CC=C4)Cl)C#N

Isomeric SMILES

C1CCCC(CC1)NC(=O)/C(=C/C2=CN(N=C2C3=CC=CC=C3)CC4=CC(=CC=C4)Cl)/C#N

InChI

InChI=1S/C27H27ClN4O/c28-24-12-8-9-20(15-24)18-32-19-23(26(31-32)21-10-4-3-5-11-21)16-22(17-29)27(33)30-25-13-6-1-2-7-14-25/h3-5,8-12,15-16,19,25H,1-2,6-7,13-14,18H2,(H,30,33)/b22-16+