(3,3-dimethylcyclohexyl) 4-[[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]methyl]piperazine-1-carboxylate

Systemtic Name: (3,3-dimethylcyclohexyl) 4-[[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]methyl]piperazine-1-carboxylate Openeye Name: (3,3-dimethylcyclohexyl) 4-[[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]methyl]piperazine-1-carboxylate CAS Name: 4-[[3-[(4-isocyanophenyl)methyl]-4-imidazolyl]methyl]-1-piperazinecarboxylic acid (3,3-dimethylcyclohexyl) ester IUPAC Name: (3,3-dimethylcyclohexyl) 4-[[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]methyl]piperazine-1-carboxylate Traditional Name: 4-[[3-(4-isocyanobenzyl)imidazol-4-yl]methyl]piperazine-1-carboxylic acid (3,3-dimethylcyclohexyl) ester Formula: C25H33N5O2 MolecularWeight: 435.56182

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCC(C1)OC(=O)N2CCN(CC2)CC3=CN=CN3CC4=CC=C(C=C4)[N+]#[C-])C

Isomeric SMILES

CC1(CCCC(C1)OC(=O)N2CCN(CC2)CC3=CN=CN3CC4=CC=C(C=C4)[N+]#[C-])C

InChI

InChI=1S/C25H33N5O2/c1-25(2)10-4-5-23(15-25)32-24(31)29-13-11-28(12-14-29)18-22-16-27-19-30(22)17-20-6-8-21(26-3)9-7-20/h6-9,16,19,23H,4-5,10-15,17-18H2,1-2H3