(E)-3-[5-(azepan-1-yl)-1,3-dimethyl-pyrazol-4-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[5-(azepan-1-yl)-1,3-dimethyl-pyrazol-4-yl]prop-2-enoic acid Openeye Name: (E)-3-[5-(azepan-1-yl)-1,3-dimethyl-pyrazol-4-yl]prop-2-enoic acid CAS Name: (E)-3-[5-(1-azepanyl)-1,3-dimethyl-4-pyrazolyl]-2-propenoic acid IUPAC Name: (E)-3-[5-(azepan-1-yl)-1,3-dimethylpyrazol-4-yl]prop-2-enoic acid Traditional Name: (E)-3-[5-(azepan-1-yl)-1,3-dimethyl-pyrazol-4-yl]acrylic acid Formula: C14H21N3O2 MolecularWeight: 263.33544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)O)N2CCCCCC2)C

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)O)N2CCCCCC2)C

InChI

InChI=1S/C14H21N3O2/c1-11-12(7-8-13(18)19)14(16(2)15-11)17-9-5-3-4-6-10-17/h7-8H,3-6,9-10H2,1-2H3,(H,18,19)/b8-7+