N-[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide

Systemtic Name: N-[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Openeye Name: N-[2-(2-ethylanilino)-2-oxo-ethyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide CAS Name: N-[2-(2-ethylanilino)-2-oxoethyl]-1-[(E)-1-oxo-3-phenylprop-2-enyl]-4-piperidinecarboxamide IUPAC Name: N-[2-(2-ethylanilino)-2-oxoethyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Traditional Name: N-[2-(2-ethylanilino)-2-keto-ethyl]-1-[(E)-3-phenylacryloyl]isonipecotamide Formula: C25H29N3O3 MolecularWeight: 419.51606

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)CNC(=O)C2CCN(CC2)C(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)CNC(=O)C2CCN(CC2)C(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C25H29N3O3/c1-2-20-10-6-7-11-22(20)27-23(29)18-26-25(31)21-14-16-28(17-15-21)24(30)13-12-19-8-4-3-5-9-19/h3-13,21H,2,14-18H2,1H3,(H,26,31)(H,27,29)/b13-12+