[(2S)-1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate

Systemtic Name: [(2S)-1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate Openeye Name: [(1S)-2-[(1-cyanocyclohexyl)amino]-1-methyl-2-oxo-ethyl] (E)-3-(1-benzylpyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-[1-(phenylmethyl)-4-pyrazolyl]-2-propenoic acid [(2S)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] (E)-3-(1-benzylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(1-benzylpyrazol-4-yl)acrylic acid [(1S)-2-[(1-cyanocyclohexyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C23H26N4O3 MolecularWeight: 406.47754

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1(CCCCC1)C#N)OC(=O)C=CC2=CN(N=C2)CC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NC1(CCCCC1)C#N)OC(=O)/C=C/C2=CN(N=C2)CC3=CC=CC=C3

InChI

InChI=1S/C23H26N4O3/c1-18(22(29)26-23(17-24)12-6-3-7-13-23)30-21(28)11-10-20-14-25-27(16-20)15-19-8-4-2-5-9-19/h2,4-5,8-11,14,16,18H,3,6-7,12-13,15H2,1H3,(H,26,29)/b11-10+/t18-/m0/s1