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

Systemtic Name: ethyl 4-[(E)-3-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]prop-2-enoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(E)-3-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]prop-2-enoyl]piperazine-1-carboxylate CAS Name: 4-[(E)-1-oxo-3-[1-(phenylmethyl)-3-(3-pyridinyl)-4-pyrazolyl]prop-2-enyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(E)-3-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enoyl]piperazine-1-carboxylate Traditional Name: 4-[(E)-3-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]acryloyl]piperazine-1-carboxylic acid ethyl ester Formula: C25H27N5O3 MolecularWeight: 445.51358

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C=CC2=CN(N=C2C3=CN=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)/C=C/C2=CN(N=C2C3=CN=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C25H27N5O3/c1-2-33-25(32)29-15-13-28(14-16-29)23(31)11-10-22-19-30(18-20-7-4-3-5-8-20)27-24(22)21-9-6-12-26-17-21/h3-12,17,19H,2,13-16,18H2,1H3/b11-10+