N-[3-(2-oxidanylideneazepan-1-yl)propyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide

Systemtic Name: N-[3-(2-oxidanylideneazepan-1-yl)propyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Openeye Name: N-[3-(2-oxoazepan-1-yl)propyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide CAS Name: N-[3-(2-oxo-1-azepanyl)propyl]-1-[(E)-1-oxo-3-phenylprop-2-enyl]-4-piperidinecarboxamide IUPAC Name: N-[3-(2-oxoazepan-1-yl)propyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Traditional Name: N-[3-(2-ketoazepan-1-yl)propyl]-1-[(E)-3-phenylacryloyl]isonipecotamide Formula: C24H33N3O3 MolecularWeight: 411.53712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CCCNC(=O)C2CCN(CC2)C(=O)C=CC3=CC=CC=C3

Isomeric SMILES

C1CCC(=O)N(CC1)CCCNC(=O)C2CCN(CC2)C(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C24H33N3O3/c28-22-10-5-2-6-16-26(22)17-7-15-25-24(30)21-13-18-27(19-14-21)23(29)12-11-20-8-3-1-4-9-20/h1,3-4,8-9,11-12,21H,2,5-7,10,13-19H2,(H,25,30)/b12-11+