tert-butyl N-[3-[4-(phenylcarbonyl)piperazin-1-yl]carbonylphenyl]carbamate

Systemtic Name: tert-butyl N-[3-[4-(phenylcarbonyl)piperazin-1-yl]carbonylphenyl]carbamate Openeye Name: tert-butyl N-[3-(4-benzoylpiperazine-1-carbonyl)phenyl]carbamate CAS Name: N-[3-[(4-benzoyl-1-piperazinyl)-oxomethyl]phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-(4-benzoylpiperazine-1-carbonyl)phenyl]carbamate Traditional Name: N-[3-(4-benzoylpiperazine-1-carbonyl)phenyl]carbamic acid tert-butyl ester Formula: C23H27N3O4 MolecularWeight: 409.47818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC=CC(=C1)C(=O)N2CCN(CC2)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=CC(=C1)C(=O)N2CCN(CC2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H27N3O4/c1-23(2,3)30-22(29)24-19-11-7-10-18(16-19)21(28)26-14-12-25(13-15-26)20(27)17-8-5-4-6-9-17/h4-11,16H,12-15H2,1-3H3,(H,24,29)