tert-butyl N-[5-[4-(4-ethanoylphenyl)piperazin-1-yl]-5-oxidanylidene-pentyl]carbamate

Systemtic Name: tert-butyl N-[5-[4-(4-ethanoylphenyl)piperazin-1-yl]-5-oxidanylidene-pentyl]carbamate Openeye Name: tert-butyl N-[5-[4-(4-acetylphenyl)piperazin-1-yl]-5-oxo-pentyl]carbamate CAS Name: N-[5-[4-(4-acetylphenyl)-1-piperazinyl]-5-oxopentyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[5-[4-(4-acetylphenyl)piperazin-1-yl]-5-oxopentyl]carbamate Traditional Name: N-[5-[4-(4-acetylphenyl)piperazino]-5-keto-pentyl]carbamic acid tert-butyl ester Formula: C22H33N3O4 MolecularWeight: 403.51512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)CCCCNC(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)CCCCNC(=O)OC(C)(C)C

InChI

InChI=1S/C22H33N3O4/c1-17(26)18-8-10-19(11-9-18)24-13-15-25(16-14-24)20(27)7-5-6-12-23-21(28)29-22(2,3)4/h8-11H,5-7,12-16H2,1-4H3,(H,23,28)