N-[[1-[(E)-N'-isocyanocarbamimidoyl]-4-phenyl-piperidin-4-yl]methyl]-2-methoxy-benzamide

Systemtic Name: N-[[1-[(E)-N'-isocyanocarbamimidoyl]-4-phenyl-piperidin-4-yl]methyl]-2-methoxy-benzamide Openeye Name: N-[[1-[(E)-N'-isocyanocarbamimidoyl]-4-phenyl-4-piperidyl]methyl]-2-methoxy-benzamide CAS Name: N-[[1-[(E)-amino(isocyanoimino)methyl]-4-phenyl-4-piperidinyl]methyl]-2-methoxybenzamide IUPAC Name: N-[[1-[(E)-N'-isocyanocarbamimidoyl]-4-phenylpiperidin-4-yl]methyl]-2-methoxybenzamide Traditional Name: N-[[1-[(E)-N'-isocyanoamidino]-4-phenyl-4-piperidyl]methyl]-2-methoxy-benzamide Formula: C22H25N5O2 MolecularWeight: 391.4662

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NCC2(CCN(CC2)C(=N[N+]#[C-])N)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC=C1C(=O)NCC2(CCN(CC2)/C(=N/[N+]#[C-])/N)C3=CC=CC=C3

InChI

InChI=1S/C22H25N5O2/c1-24-26-21(23)27-14-12-22(13-15-27,17-8-4-3-5-9-17)16-25-20(28)18-10-6-7-11-19(18)29-2/h3-11H,12-16H2,2H3,(H2,23,26)(H,25,28)