2,2-dimethylpentan-3-yl 4-[[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]methyl]piperazine-1-carboxylate

Systemtic Name: 2,2-dimethylpentan-3-yl 4-[[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]methyl]piperazine-1-carboxylate Openeye Name: (1-ethyl-2,2-dimethyl-propyl) 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 2,2-dimethylpentan-3-yl ester IUPAC Name: 2,2-dimethylpentan-3-yl 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 (1-ethyl-2,2-dimethyl-propyl) ester Formula: C24H33N5O2 MolecularWeight: 423.55112

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C)(C)C)OC(=O)N1CCN(CC1)CC2=CN=CN2CC3=CC=C(C=C3)[N+]#[C-]

Isomeric SMILES

CCC(C(C)(C)C)OC(=O)N1CCN(CC1)CC2=CN=CN2CC3=CC=C(C=C3)[N+]#[C-]

InChI

InChI=1S/C24H33N5O2/c1-6-22(24(2,3)4)31-23(30)28-13-11-27(12-14-28)17-21-15-26-18-29(21)16-19-7-9-20(25-5)10-8-19/h7-10,15,18,22H,6,11-14,16-17H2,1-4H3