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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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