N-[[1-(N'-cyanocarbamimidoyl)-4-phenyl-piperidin-4-yl]methyl]-2-methoxy-6-oxidanyl-benzamide

Systemtic Name: N-[[1-(N'-cyanocarbamimidoyl)-4-phenyl-piperidin-4-yl]methyl]-2-methoxy-6-oxidanyl-benzamide Openeye Name: N-[[1-(N'-cyanocarbamimidoyl)-4-phenyl-4-piperidyl]methyl]-2-hydroxy-6-methoxy-benzamide CAS Name: N-[[1-[amino(cyanoimino)methyl]-4-phenyl-4-piperidinyl]methyl]-2-hydroxy-6-methoxybenzamide IUPAC Name: N-[[1-(N'-cyanocarbamimidoyl)-4-phenylpiperidin-4-yl]methyl]-2-hydroxy-6-methoxybenzamide Traditional Name: N-[[1-(N'-cyanoamidino)-4-phenyl-4-piperidyl]methyl]-2-hydroxy-6-methoxy-benzamide Formula: C22H25N5O3 MolecularWeight: 407.4656

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1C(=O)NCC2(CCN(CC2)C(=NC#N)N)C3=CC=CC=C3)O

Isomeric SMILES

COC1=CC=CC(=C1C(=O)NCC2(CCN(CC2)C(=NC#N)N)C3=CC=CC=C3)O

InChI

InChI=1S/C22H25N5O3/c1-30-18-9-5-8-17(28)19(18)20(29)25-14-22(16-6-3-2-4-7-16)10-12-27(13-11-22)21(24)26-15-23/h2-9,28H,10-14H2,1H3,(H2,24,26)(H,25,29)