tert-butyl 4-[2-[4-[4-(propanoylamino)phenyl]piperazin-1-yl]ethyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[4-[4-(propanoylamino)phenyl]piperazin-1-yl]ethyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-[4-[4-(propanoylamino)phenyl]piperazin-1-yl]ethyl]piperidine-1-carboxylate CAS Name: 4-[2-[4-[4-(1-oxopropylamino)phenyl]-1-piperazinyl]ethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[4-[4-(propanoylamino)phenyl]piperazin-1-yl]ethyl]piperidine-1-carboxylate Traditional Name: 4-[2-[4-(4-propionamidophenyl)piperazino]ethyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C25H40N4O3 MolecularWeight: 444.6101

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=C(C=C1)N2CCN(CC2)CCC3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)N2CCN(CC2)CCC3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C25H40N4O3/c1-5-23(30)26-21-6-8-22(9-7-21)28-18-16-27(17-19-28)13-10-20-11-14-29(15-12-20)24(31)32-25(2,3)4/h6-9,20H,5,10-19H2,1-4H3,(H,26,30)