[2-(cycloheptylamino)-2-oxidanylidene-ethyl] 3-[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate

Systemtic Name: [2-(cycloheptylamino)-2-oxidanylidene-ethyl] 3-[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: [2-(cycloheptylamino)-2-oxo-ethyl] 3-[1-phenyl-3-(p-tolyl)pyrazol-4-yl]prop-2-enoate CAS Name: 3-[3-(4-methylphenyl)-1-phenyl-4-pyrazolyl]-2-propenoic acid [2-(cycloheptylamino)-2-oxoethyl] ester IUPAC Name: [2-(cycloheptylamino)-2-oxoethyl] 3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]prop-2-enoate Traditional Name: 3-[1-phenyl-3-(p-tolyl)pyrazol-4-yl]acrylic acid [2-(cycloheptylamino)-2-keto-ethyl] ester Formula: C28H31N3O3 MolecularWeight: 457.56404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2C=CC(=O)OCC(=O)NC3CCCCCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2C=CC(=O)OCC(=O)NC3CCCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C28H31N3O3/c1-21-13-15-22(16-14-21)28-23(19-31(30-28)25-11-7-4-8-12-25)17-18-27(33)34-20-26(32)29-24-9-5-2-3-6-10-24/h4,7-8,11-19,24H,2-3,5-6,9-10,20H2,1H3,(H,29,32)