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

Systemtic Name: N-[1-azanyl-4-methyl-1,2-bis(oxidanylidene)pentan-3-yl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Openeye Name: N-(3-amino-1-isopropyl-2,3-dioxo-propyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide CAS Name: N-(1-amino-4-methyl-1,2-dioxopentan-3-yl)-1-[(E)-1-oxo-3-phenylprop-2-enyl]-4-piperidinecarboxamide IUPAC Name: N-(1-amino-4-methyl-1,2-dioxopentan-3-yl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Traditional Name: N-(3-amino-1-isopropyl-2,3-diketo-propyl)-1-[(E)-3-phenylacryloyl]isonipecotamide Formula: C21H27N3O4 MolecularWeight: 385.45678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O4/c1-14(2)18(19(26)20(22)27)23-21(28)16-10-12-24(13-11-16)17(25)9-8-15-6-4-3-5-7-15/h3-9,14,16,18H,10-13H2,1-2H3,(H2,22,27)(H,23,28)/b9-8+