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

Systemtic Name: (2-ethoxypyridin-3-yl)methyl 4-[[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]methyl]piperazine-1-carboxylate Openeye Name: (2-ethoxy-3-pyridyl)methyl 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-ethoxy-3-pyridinyl)methyl ester IUPAC Name: (2-ethoxypyridin-3-yl)methyl 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-ethoxy-3-pyridyl)methyl ester Formula: C25H28N6O3 MolecularWeight: 460.52822

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC=N1)COC(=O)N2CCN(CC2)CC3=CN=CN3CC4=CC=C(C=C4)[N+]#[C-]

Isomeric SMILES

CCOC1=C(C=CC=N1)COC(=O)N2CCN(CC2)CC3=CN=CN3CC4=CC=C(C=C4)[N+]#[C-]

InChI

InChI=1S/C25H28N6O3/c1-3-33-24-21(5-4-10-28-24)18-34-25(32)30-13-11-29(12-14-30)17-23-15-27-19-31(23)16-20-6-8-22(26-2)9-7-20/h4-10,15,19H,3,11-14,16-18H2,1H3