N-[[1-(N'-cyanocarbamimidoyl)-4-(3-fluorophenyl)piperidin-4-yl]methyl]-2-methoxy-benzamide

Systemtic Name: N-[[1-(N'-cyanocarbamimidoyl)-4-(3-fluorophenyl)piperidin-4-yl]methyl]-2-methoxy-benzamide Openeye Name: N-[[1-(N'-cyanocarbamimidoyl)-4-(3-fluorophenyl)-4-piperidyl]methyl]-2-methoxy-benzamide CAS Name: N-[[1-[amino(cyanoimino)methyl]-4-(3-fluorophenyl)-4-piperidinyl]methyl]-2-methoxybenzamide IUPAC Name: N-[[1-(N'-cyanocarbamimidoyl)-4-(3-fluorophenyl)piperidin-4-yl]methyl]-2-methoxybenzamide Traditional Name: N-[[1-(N'-cyanoamidino)-4-(3-fluorophenyl)-4-piperidyl]methyl]-2-methoxy-benzamide Formula: C22H24FN5O2 MolecularWeight: 409.456663

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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)F

Isomeric SMILES

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

InChI

InChI=1S/C22H24FN5O2/c1-30-19-8-3-2-7-18(19)20(29)26-14-22(16-5-4-6-17(23)13-16)9-11-28(12-10-22)21(25)27-15-24/h2-8,13H,9-12,14H2,1H3,(H2,25,27)(H,26,29)