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

Systemtic Name: cyclohexyl 4-[[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]methyl]piperazine-1-carboxylate Openeye Name: 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 cyclohexyl ester IUPAC Name: cyclohexyl 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 cyclohexyl ester Formula: C23H29N5O2 MolecularWeight: 407.50866

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]C1=CC=C(C=C1)CN2C=NC=C2CN3CCN(CC3)C(=O)OC4CCCCC4

Isomeric SMILES

[C-]#[N+]C1=CC=C(C=C1)CN2C=NC=C2CN3CCN(CC3)C(=O)OC4CCCCC4

InChI

InChI=1S/C23H29N5O2/c1-24-20-9-7-19(8-10-20)16-28-18-25-15-21(28)17-26-11-13-27(14-12-26)23(29)30-22-5-3-2-4-6-22/h7-10,15,18,22H,2-6,11-14,16-17H2