tert-butyl 4-[(E)-3-(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)prop-2-enoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[(E)-3-(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)prop-2-enoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[(E)-3-[1-phenyl-3-(3-pyridyl)pyrazol-4-yl]prop-2-enoyl]piperazine-1-carboxylate CAS Name: 4-[(E)-1-oxo-3-[1-phenyl-3-(3-pyridinyl)-4-pyrazolyl]prop-2-enyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(E)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enoyl]piperazine-1-carboxylate Traditional Name: 4-[(E)-3-[1-phenyl-3-(3-pyridyl)pyrazol-4-yl]acryloyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C26H29N5O3 MolecularWeight: 459.54016

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C=CC2=CN(N=C2C3=CN=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)/C=C/C2=CN(N=C2C3=CN=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H29N5O3/c1-26(2,3)34-25(33)30-16-14-29(15-17-30)23(32)12-11-21-19-31(22-9-5-4-6-10-22)28-24(21)20-8-7-13-27-18-20/h4-13,18-19H,14-17H2,1-3H3/b12-11+