N-[(2-ethoxyphenyl)methyl]-4-[[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]methyl]piperazine-1-carboxamide

Systemtic Name: N-[(2-ethoxyphenyl)methyl]-4-[[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]methyl]piperazine-1-carboxamide Openeye Name: N-[(2-ethoxyphenyl)methyl]-4-[[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]methyl]piperazine-1-carboxamide CAS Name: N-[(2-ethoxyphenyl)methyl]-4-[[3-[(4-isocyanophenyl)methyl]-4-imidazolyl]methyl]-1-piperazinecarboxamide IUPAC Name: N-[(2-ethoxyphenyl)methyl]-4-[[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]methyl]piperazine-1-carboxamide Traditional Name: N-(2-ethoxybenzyl)-4-[[3-(4-isocyanobenzyl)imidazol-4-yl]methyl]piperazine-1-carboxamide Formula: C26H30N6O2 MolecularWeight: 458.5554

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1CNC(=O)N2CCN(CC2)CC3=CN=CN3CC4=CC=C(C=C4)[N+]#[C-]

Isomeric SMILES

CCOC1=CC=CC=C1CNC(=O)N2CCN(CC2)CC3=CN=CN3CC4=CC=C(C=C4)[N+]#[C-]

InChI

InChI=1S/C26H30N6O2/c1-3-34-25-7-5-4-6-22(25)16-29-26(33)31-14-12-30(13-15-31)19-24-17-28-20-32(24)18-21-8-10-23(27-2)11-9-21/h4-11,17,20H,3,12-16,18-19H2,1H3,(H,29,33)