tert-butyl N-[[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonylphenyl]methyl]carbamate

Systemtic Name: tert-butyl N-[[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonylphenyl]methyl]carbamate Openeye Name: tert-butyl N-[[4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]methyl]carbamate CAS Name: N-[[4-[[4-(2,3-dimethylphenyl)-1-piperazinyl]-oxomethyl]phenyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]methyl]carbamate Traditional Name: N-[4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]benzyl]carbamic acid tert-butyl ester Formula: C25H33N3O3 MolecularWeight: 423.54782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)CNC(=O)OC(C)(C)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)CNC(=O)OC(C)(C)C)C

InChI

InChI=1S/C25H33N3O3/c1-18-7-6-8-22(19(18)2)27-13-15-28(16-14-27)23(29)21-11-9-20(10-12-21)17-26-24(30)31-25(3,4)5/h6-12H,13-17H2,1-5H3,(H,26,30)