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

Systemtic Name: [2-(cyclohexylamino)-2-oxidanylidene-ethyl] 3-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: [2-(cyclohexylamino)-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-(cyclohexylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclohexylamino)-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-(cyclohexylamino)-2-keto-ethyl] ester Formula: C26H26ClN3O3 MolecularWeight: 463.95594

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)COC(=O)C=CC2=CN(N=C2C3=CC=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)NC(=O)COC(=O)C=CC2=CN(N=C2C3=CC=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C26H26ClN3O3/c27-21-14-11-19(12-15-21)26-20(17-30(29-26)23-9-5-2-6-10-23)13-16-25(32)33-18-24(31)28-22-7-3-1-4-8-22/h2,5-6,9-17,22H,1,3-4,7-8,18H2,(H,28,31)