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

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] (E)-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] (E)-3-(1-benzylpyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-[1-(phenylmethyl)-4-pyrazolyl]-2-propenoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] (E)-3-(1-benzylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(1-benzylpyrazol-4-yl)acrylic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C18H17N3O3 MolecularWeight: 323.34588

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)COC(=O)C=CC1=CN(N=C1)CC2=CC=CC=C2

Isomeric SMILES

C#CCNC(=O)COC(=O)/C=C/C1=CN(N=C1)CC2=CC=CC=C2

InChI

InChI=1S/C18H17N3O3/c1-2-10-19-17(22)14-24-18(23)9-8-16-11-20-21(13-16)12-15-6-4-3-5-7-15/h1,3-9,11,13H,10,12,14H2,(H,19,22)/b9-8+