N-[1-azanyl-5-methyl-1,2-bis(oxidanylidene)hexan-3-yl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide

Systemtic Name: N-[1-azanyl-5-methyl-1,2-bis(oxidanylidene)hexan-3-yl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Openeye Name: N-(3-methyl-1-oxamoyl-butyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide CAS Name: N-(1-amino-5-methyl-1,2-dioxohexan-3-yl)-1-[(E)-1-oxo-3-phenylprop-2-enyl]-4-piperidinecarboxamide IUPAC Name: N-(1-amino-5-methyl-1,2-dioxohexan-3-yl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Traditional Name: N-(3-methyl-1-oxamoyl-butyl)-1-[(E)-3-phenylacryloyl]isonipecotamide Formula: C22H29N3O4 MolecularWeight: 399.48336

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)C(=O)N)NC(=O)C1CCN(CC1)C(=O)C=CC2=CC=CC=C2

Isomeric SMILES

CC(C)CC(C(=O)C(=O)N)NC(=O)C1CCN(CC1)C(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C22H29N3O4/c1-15(2)14-18(20(27)21(23)28)24-22(29)17-10-12-25(13-11-17)19(26)9-8-16-6-4-3-5-7-16/h3-9,15,17-18H,10-14H2,1-2H3,(H2,23,28)(H,24,29)/b9-8+