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

Systemtic Name: [2-(2-methylpropylamino)-2-oxidanylidene-ethyl] (E)-3-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]prop-2-enoate Openeye Name: [2-(isobutylamino)-2-oxo-ethyl] (E)-3-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]prop-2-enoate CAS Name: (E)-3-[1-(phenylmethyl)-3-(3-pyridinyl)-4-pyrazolyl]-2-propenoic acid [2-(2-methylpropylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylamino)-2-oxoethyl] (E)-3-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]acrylic acid [2-(isobutylamino)-2-keto-ethyl] ester Formula: C24H26N4O3 MolecularWeight: 418.48824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N4O3/c1-18(2)13-26-22(29)17-31-23(30)11-10-21-16-28(15-19-7-4-3-5-8-19)27-24(21)20-9-6-12-25-14-20/h3-12,14,16,18H,13,15,17H2,1-2H3,(H,26,29)/b11-10+