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

Systemtic Name: N-[[1-(N'-cyanocarbamimidoyl)-4-(2-fluorophenyl)piperidin-4-yl]methyl]-2-methoxy-benzamide Openeye Name: N-[[1-(N'-cyanocarbamimidoyl)-4-(2-fluorophenyl)-4-piperidyl]methyl]-2-methoxy-benzamide CAS Name: N-[[1-[amino(cyanoimino)methyl]-4-(2-fluorophenyl)-4-piperidinyl]methyl]-2-methoxybenzamide IUPAC Name: N-[[1-(N'-cyanocarbamimidoyl)-4-(2-fluorophenyl)piperidin-4-yl]methyl]-2-methoxybenzamide Traditional Name: N-[[1-(N'-cyanoamidino)-4-(2-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=C3F

Isomeric SMILES

COC1=CC=CC=C1C(=O)NCC2(CCN(CC2)C(=NC#N)N)C3=CC=CC=C3F

InChI

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