1-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]-4-piperidin-1-yl-piperidine-4-carboxamide; prop-2-enal

Systemtic Name: 1-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]-4-piperidin-1-yl-piperidine-4-carboxamide; prop-2-enal Openeye Name: 1-[4-(4-fluorophenyl)-4-oxo-butyl]-4-(1-piperidyl)piperidine-4-carboxamide; prop-2-enal CAS Name: 1-[4-(4-fluorophenyl)-4-oxobutyl]-4-(1-piperidinyl)-4-piperidinecarboxamide; 2-propenal IUPAC Name: 1-[4-(4-fluorophenyl)-4-oxobutyl]-4-piperidin-1-ylpiperidine-4-carboxamide; prop-2-enal Traditional Name: acrolein; 1-[4-(4-fluorophenyl)-4-keto-butyl]-4-piperidino-isonipecotamide Formula: C24H34FN3O3 MolecularWeight: 431.543463

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CC=O.C1CCN(CC1)C2(CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F)C(=O)N

Isomeric SMILES

C=CC=O.C1CCN(CC1)C2(CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F)C(=O)N

InChI

InChI=1S/C21H30FN3O2.C3H4O/c22-18-8-6-17(7-9-18)19(26)5-4-12-24-15-10-21(11-16-24,20(23)27)25-13-2-1-3-14-25;1-2-3-4/h6-9H,1-5,10-16H2,(H2,23,27);2-3H,1H2