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

Systemtic Name: tert-butyl N-[4-[4-(3-chlorophenyl)piperazin-1-yl]carbonylphenyl]carbamate Openeye Name: tert-butyl N-[4-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]carbamate CAS Name: N-[4-[[4-(3-chlorophenyl)-1-piperazinyl]-oxomethyl]phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]carbamate Traditional Name: N-[4-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]carbamic acid tert-butyl ester Formula: C22H26ClN3O3 MolecularWeight: 415.91314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26ClN3O3/c1-22(2,3)29-21(28)24-18-9-7-16(8-10-18)20(27)26-13-11-25(12-14-26)19-6-4-5-17(23)15-19/h4-10,15H,11-14H2,1-3H3,(H,24,28)