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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C=CC2=CN(N=C2C3=CN=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)/C=C/C2=CN(N=C2C3=CN=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H26N4O3/c1-2-32-25(31)21-9-7-15-28(17-21)23(30)13-12-20-18-29(22-10-4-3-5-11-22)27-24(20)19-8-6-14-26-16-19/h3-6,8,10-14,16,18,21H,2,7,9,15,17H2,1H3/b13-12+