methyl 1-[(E)-3-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]prop-2-enoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[(E)-3-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]prop-2-enoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[(E)-3-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]prop-2-enoyl]piperidine-4-carboxylate CAS Name: 1-[(E)-1-oxo-3-[1-(phenylmethyl)-3-(3-pyridinyl)-4-pyrazolyl]prop-2-enyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[(E)-3-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enoyl]piperidine-4-carboxylate Traditional Name: 1-[(E)-3-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]acryloyl]isonipecotic acid methyl ester Formula: C25H26N4O3 MolecularWeight: 430.49894

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)C=CC2=CN(N=C2C3=CN=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)/C=C/C2=CN(N=C2C3=CN=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C25H26N4O3/c1-32-25(31)20-11-14-28(15-12-20)23(30)10-9-22-18-29(17-19-6-3-2-4-7-19)27-24(22)21-8-5-13-26-16-21/h2-10,13,16,18,20H,11-12,14-15,17H2,1H3/b10-9+