(5-methyl-2-propan-2-yl-cyclohexyl) 4-[[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]methyl]piperazine-1-carboxylate

Systemtic Name: (5-methyl-2-propan-2-yl-cyclohexyl) 4-[[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]methyl]piperazine-1-carboxylate Openeye Name: (2-isopropyl-5-methyl-cyclohexyl) 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 (5-methyl-2-propan-2-ylcyclohexyl) ester IUPAC Name: (5-methyl-2-propan-2-ylcyclohexyl) 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 (2-isopropyl-5-methyl-cyclohexyl) ester Formula: C27H37N5O2 MolecularWeight: 463.61498

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)N2CCN(CC2)CC3=CN=CN3CC4=CC=C(C=C4)[N+]#[C-])C(C)C

Isomeric SMILES

CC1CCC(C(C1)OC(=O)N2CCN(CC2)CC3=CN=CN3CC4=CC=C(C=C4)[N+]#[C-])C(C)C

InChI

InChI=1S/C27H37N5O2/c1-20(2)25-10-5-21(3)15-26(25)34-27(33)31-13-11-30(12-14-31)18-24-16-29-19-32(24)17-22-6-8-23(28-4)9-7-22/h6-9,16,19-21,25-26H,5,10-15,17-18H2,1-3H3