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

Systemtic Name: tert-butyl N-[4-[4-(4-ethanoylphenyl)piperazin-1-yl]-4-oxidanylidene-butyl]carbamate Openeye Name: tert-butyl N-[4-[4-(4-acetylphenyl)piperazin-1-yl]-4-oxo-butyl]carbamate CAS Name: N-[4-[4-(4-acetylphenyl)-1-piperazinyl]-4-oxobutyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[4-(4-acetylphenyl)piperazin-1-yl]-4-oxobutyl]carbamate Traditional Name: N-[4-[4-(4-acetylphenyl)piperazino]-4-keto-butyl]carbamic acid tert-butyl ester Formula: C21H31N3O4 MolecularWeight: 389.48854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N3O4/c1-16(25)17-7-9-18(10-8-17)23-12-14-24(15-13-23)19(26)6-5-11-22-20(27)28-21(2,3)4/h7-10H,5-6,11-15H2,1-4H3,(H,22,27)