tert-butyl 4-[[4-[(3-chlorophenyl)-imidazol-1-yl-methyl]phenyl]methyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[[4-[(3-chlorophenyl)-imidazol-1-yl-methyl]phenyl]methyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[[4-[(3-chlorophenyl)-imidazol-1-yl-methyl]phenyl]methyl]piperazine-1-carboxylate CAS Name: 4-[[4-[(3-chlorophenyl)-(1-imidazolyl)methyl]phenyl]methyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[4-[(3-chlorophenyl)-imidazol-1-ylmethyl]phenyl]methyl]piperazine-1-carboxylate Traditional Name: 4-[4-[(3-chlorophenyl)-imidazol-1-yl-methyl]benzyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C26H31ClN4O2 MolecularWeight: 467.00294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)CC2=CC=C(C=C2)C(C3=CC(=CC=C3)Cl)N4C=CN=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)CC2=CC=C(C=C2)C(C3=CC(=CC=C3)Cl)N4C=CN=C4

InChI

InChI=1S/C26H31ClN4O2/c1-26(2,3)33-25(32)30-15-13-29(14-16-30)18-20-7-9-21(10-8-20)24(31-12-11-28-19-31)22-5-4-6-23(27)17-22/h4-12,17,19,24H,13-16,18H2,1-3H3