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

Systemtic Name: tert-butyl 4-[[4-[(4-chlorophenyl)-imidazol-1-yl-phenyl-methyl]phenyl]methyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[[4-[(4-chlorophenyl)-imidazol-1-yl-phenyl-methyl]phenyl]methyl]piperazine-1-carboxylate CAS Name: 4-[[4-[(4-chlorophenyl)-(1-imidazolyl)-phenylmethyl]phenyl]methyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[4-[(4-chlorophenyl)-imidazol-1-yl-phenylmethyl]phenyl]methyl]piperazine-1-carboxylate Traditional Name: 4-[4-[(4-chlorophenyl)-imidazol-1-yl-phenyl-methyl]benzyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C32H35ClN4O2 MolecularWeight: 543.0989

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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)(C4=CC=C(C=C4)Cl)N5C=CN=C5

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)CC2=CC=C(C=C2)C(C3=CC=CC=C3)(C4=CC=C(C=C4)Cl)N5C=CN=C5

InChI

InChI=1S/C32H35ClN4O2/c1-31(2,3)39-30(38)36-21-19-35(20-22-36)23-25-9-11-27(12-10-25)32(37-18-17-34-24-37,26-7-5-4-6-8-26)28-13-15-29(33)16-14-28/h4-18,24H,19-23H2,1-3H3