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

Systemtic Name: [2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl] 3-(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)prop-2-enoate Openeye Name: [2-(cyclohexylmethylamino)-2-oxo-ethyl] 3-[1-phenyl-3-(3-pyridyl)pyrazol-4-yl]prop-2-enoate CAS Name: 3-[1-phenyl-3-(3-pyridinyl)-4-pyrazolyl]-2-propenoic acid [2-(cyclohexylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclohexylmethylamino)-2-oxoethyl] 3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enoate Traditional Name: 3-[1-phenyl-3-(3-pyridyl)pyrazol-4-yl]acrylic acid [2-(cyclohexylmethylamino)-2-keto-ethyl] ester Formula: C26H28N4O3 MolecularWeight: 444.52552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28N4O3/c31-24(28-16-20-8-3-1-4-9-20)19-33-25(32)14-13-22-18-30(23-11-5-2-6-12-23)29-26(22)21-10-7-15-27-17-21/h2,5-7,10-15,17-18,20H,1,3-4,8-9,16,19H2,(H,28,31)