N-[4-azanyl-3,4-bis(oxidanylidene)-1-phenyl-butan-2-yl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide

Systemtic Name: N-[4-azanyl-3,4-bis(oxidanylidene)-1-phenyl-butan-2-yl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Openeye Name: N-(3-amino-1-benzyl-2,3-dioxo-propyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide CAS Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-[(E)-1-oxo-3-phenylprop-2-enyl]-4-piperidinecarboxamide IUPAC Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Traditional Name: N-(3-amino-1-benzyl-2,3-diketo-propyl)-1-[(E)-3-phenylacryloyl]isonipecotamide Formula: C25H27N3O4 MolecularWeight: 433.49958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1CN(CCC1C(=O)NC(CC2=CC=CC=C2)C(=O)C(=O)N)C(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C25H27N3O4/c26-24(31)23(30)21(17-19-9-5-2-6-10-19)27-25(32)20-13-15-28(16-14-20)22(29)12-11-18-7-3-1-4-8-18/h1-12,20-21H,13-17H2,(H2,26,31)(H,27,32)/b12-11+