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

Systemtic Name: [2-(cycloheptylamino)-2-oxidanylidene-ethyl] 3-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: [2-(cycloheptylamino)-2-oxo-ethyl] 3-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate CAS Name: 3-[3-(4-chlorophenyl)-1-phenyl-4-pyrazolyl]-2-propenoic acid [2-(cycloheptylamino)-2-oxoethyl] ester IUPAC Name: [2-(cycloheptylamino)-2-oxoethyl] 3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]prop-2-enoate Traditional Name: 3-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]acrylic acid [2-(cycloheptylamino)-2-keto-ethyl] ester Formula: C27H28ClN3O3 MolecularWeight: 477.98252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28ClN3O3/c28-22-15-12-20(13-16-22)27-21(18-31(30-27)24-10-6-3-7-11-24)14-17-26(33)34-19-25(32)29-23-8-4-1-2-5-9-23/h3,6-7,10-18,23H,1-2,4-5,8-9,19H2,(H,29,32)