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

Systemtic Name: tert-butyl N-[[4-[4-(4-ethanoylphenyl)piperazin-1-yl]carbonylphenyl]methyl]carbamate Openeye Name: tert-butyl N-[[4-[4-(4-acetylphenyl)piperazine-1-carbonyl]phenyl]methyl]carbamate CAS Name: N-[[4-[[4-(4-acetylphenyl)-1-piperazinyl]-oxomethyl]phenyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[4-[4-(4-acetylphenyl)piperazine-1-carbonyl]phenyl]methyl]carbamate Traditional Name: N-[4-[4-(4-acetylphenyl)piperazine-1-carbonyl]benzyl]carbamic acid tert-butyl ester Formula: C25H31N3O4 MolecularWeight: 437.53134

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)CNC(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)CNC(=O)OC(C)(C)C

InChI

InChI=1S/C25H31N3O4/c1-18(29)20-9-11-22(12-10-20)27-13-15-28(16-14-27)23(30)21-7-5-19(6-8-21)17-26-24(31)32-25(2,3)4/h5-12H,13-17H2,1-4H3,(H,26,31)