[2-(diethylamino)-2-oxidanylidene-ethyl] (E)-3-[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate

Systemtic Name: [2-(diethylamino)-2-oxidanylidene-ethyl] (E)-3-[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate Openeye Name: [2-(diethylamino)-2-oxo-ethyl] (E)-3-(1-benzyl-3-phenyl-pyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-[3-phenyl-1-(phenylmethyl)-4-pyrazolyl]-2-propenoic acid [2-(diethylamino)-2-oxoethyl] ester IUPAC Name: [2-(diethylamino)-2-oxoethyl] (E)-3-(1-benzyl-3-phenylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(1-benzyl-3-phenyl-pyrazol-4-yl)acrylic acid [2-(diethylamino)-2-keto-ethyl] ester Formula: C25H27N3O3 MolecularWeight: 417.50018

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)COC(=O)C=CC1=CN(N=C1C2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CCN(CC)C(=O)COC(=O)/C=C/C1=CN(N=C1C2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C25H27N3O3/c1-3-27(4-2)23(29)19-31-24(30)16-15-22-18-28(17-20-11-7-5-8-12-20)26-25(22)21-13-9-6-10-14-21/h5-16,18H,3-4,17,19H2,1-2H3/b16-15+