N-[[1-(N-cyano-N'-prop-2-enyl-carbamimidoyl)-4-phenyl-piperidin-4-yl]methyl]-2-methoxy-benzamide

Systemtic Name: N-[[1-(N-cyano-N'-prop-2-enyl-carbamimidoyl)-4-phenyl-piperidin-4-yl]methyl]-2-methoxy-benzamide Openeye Name: N-[[1-(N'-allyl-N-cyano-carbamimidoyl)-4-phenyl-4-piperidyl]methyl]-2-methoxy-benzamide CAS Name: N-[[1-[(cyanoamino)-prop-2-enyliminomethyl]-4-phenyl-4-piperidinyl]methyl]-2-methoxybenzamide IUPAC Name: N-[[1-(N-cyano-N'-prop-2-enylcarbamimidoyl)-4-phenylpiperidin-4-yl]methyl]-2-methoxybenzamide Traditional Name: N-[[1-(N'-allyl-N-cyano-amidino)-4-phenyl-4-piperidyl]methyl]-2-methoxy-benzamide Formula: C25H29N5O2 MolecularWeight: 431.53006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N5O2/c1-3-15-27-24(29-19-26)30-16-13-25(14-17-30,20-9-5-4-6-10-20)18-28-23(31)21-11-7-8-12-22(21)32-2/h3-12H,1,13-18H2,2H3,(H,27,29)(H,28,31)