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

Systemtic Name: [2-(4-aminocarbonylpiperidin-1-yl)-2-oxidanylidene-ethyl] (E)-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate Openeye Name: [2-(4-carbamoyl-1-piperidyl)-2-oxo-ethyl] (E)-3-(1-benzylpyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-[1-(phenylmethyl)-4-pyrazolyl]-2-propenoic acid [2-(4-carbamoyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] (E)-3-(1-benzylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(1-benzylpyrazol-4-yl)acrylic acid [2-(4-carbamoylpiperidino)-2-keto-ethyl] ester Formula: C21H24N4O4 MolecularWeight: 396.43966

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N)C(=O)COC(=O)C=CC2=CN(N=C2)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1C(=O)N)C(=O)COC(=O)/C=C/C2=CN(N=C2)CC3=CC=CC=C3

InChI

InChI=1S/C21H24N4O4/c22-21(28)18-8-10-24(11-9-18)19(26)15-29-20(27)7-6-17-12-23-25(14-17)13-16-4-2-1-3-5-16/h1-7,12,14,18H,8-11,13,15H2,(H2,22,28)/b7-6+