[2-(cyclopentylamino)-2-oxidanylidene-ethyl] (E)-2-cyano-3-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]prop-2-enoate

Systemtic Name: [2-(cyclopentylamino)-2-oxidanylidene-ethyl] (E)-2-cyano-3-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: [2-(cyclopentylamino)-2-oxo-ethyl] (E)-2-cyano-3-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]prop-2-enoate CAS Name: (E)-2-cyano-3-[1-(2-cyanoethyl)-3-phenyl-4-pyrazolyl]-2-propenoic acid [2-(cyclopentylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclopentylamino)-2-oxoethyl] (E)-2-cyano-3-[1-(2-cyanoethyl)-3-phenylpyrazol-4-yl]prop-2-enoate Traditional Name: (E)-2-cyano-3-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]acrylic acid [2-(cyclopentylamino)-2-keto-ethyl] ester Formula: C23H23N5O3 MolecularWeight: 417.46042

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)COC(=O)C(=CC2=CN(N=C2C3=CC=CC=C3)CCC#N)C#N

Isomeric SMILES

C1CCC(C1)NC(=O)COC(=O)/C(=C/C2=CN(N=C2C3=CC=CC=C3)CCC#N)/C#N

InChI

InChI=1S/C23H23N5O3/c24-11-6-12-28-15-19(22(27-28)17-7-2-1-3-8-17)13-18(14-25)23(30)31-16-21(29)26-20-9-4-5-10-20/h1-3,7-8,13,15,20H,4-6,9-10,12,16H2,(H,26,29)/b18-13+