(E)-3-[5-[(3S)-3-aminocarbonylpiperidin-1-yl]-1,3-dimethyl-pyrazol-4-yl]prop-2-enoate

Systemtic Name: (E)-3-[5-[(3S)-3-aminocarbonylpiperidin-1-yl]-1,3-dimethyl-pyrazol-4-yl]prop-2-enoate Openeye Name: (E)-3-[5-[(3S)-3-carbamoyl-1-piperidyl]-1,3-dimethyl-pyrazol-4-yl]prop-2-enoate CAS Name: (E)-3-[5-[(3S)-3-carbamoyl-1-piperidinyl]-1,3-dimethyl-4-pyrazolyl]-2-propenoate IUPAC Name: (E)-3-[5-[(3S)-3-carbamoylpiperidin-1-yl]-1,3-dimethylpyrazol-4-yl]prop-2-enoate Traditional Name: (E)-3-[5-[(3S)-3-carbamoylpiperidino]-1,3-dimethyl-pyrazol-4-yl]acrylate Formula: C14H19N4O3- MolecularWeight: 291.32566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)[O-])N2CCCC(C2)C(=O)N)C

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)[O-])N2CCC[C@@H](C2)C(=O)N)C

InChI

InChI=1S/C14H20N4O3/c1-9-11(5-6-12(19)20)14(17(2)16-9)18-7-3-4-10(8-18)13(15)21/h5-6,10H,3-4,7-8H2,1-2H3,(H2,15,21)(H,19,20)/p-1/b6-5+/t10-/m0/s1