(E)-2-cyano-N-[(1S,2S)-2-methylcyclohexyl]-3-(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)prop-2-enamide

Systemtic Name: (E)-2-cyano-N-[(1S,2S)-2-methylcyclohexyl]-3-(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)prop-2-enamide Openeye Name: (E)-2-cyano-N-[(1S,2S)-2-methylcyclohexyl]-3-[1-phenyl-3-(3-pyridyl)pyrazol-4-yl]prop-2-enamide CAS Name: (E)-2-cyano-N-[(1S,2S)-2-methylcyclohexyl]-3-[1-phenyl-3-(3-pyridinyl)-4-pyrazolyl]-2-propenamide IUPAC Name: (E)-2-cyano-N-[(1S,2S)-2-methylcyclohexyl]-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enamide Traditional Name: (E)-2-cyano-N-[(1S,2S)-2-methylcyclohexyl]-3-[1-phenyl-3-(3-pyridyl)pyrazol-4-yl]acrylamide Formula: C25H25N5O MolecularWeight: 411.4989

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)C(=CC2=CN(N=C2C3=CN=CC=C3)C4=CC=CC=C4)C#N

Isomeric SMILES

C[C@H]1CCCC[C@@H]1NC(=O)/C(=C/C2=CN(N=C2C3=CN=CC=C3)C4=CC=CC=C4)/C#N

InChI

InChI=1S/C25H25N5O/c1-18-8-5-6-12-23(18)28-25(31)20(15-26)14-21-17-30(22-10-3-2-4-11-22)29-24(21)19-9-7-13-27-16-19/h2-4,7,9-11,13-14,16-18,23H,5-6,8,12H2,1H3,(H,28,31)/b20-14+/t18-,23-/m0/s1