N-[[1-(N-cyano-C-pyrrolidin-1-yl-carbonimidoyl)-4-phenyl-piperidin-4-yl]methyl]-2-methoxy-benzamide

Systemtic Name: N-[[1-(N-cyano-C-pyrrolidin-1-yl-carbonimidoyl)-4-phenyl-piperidin-4-yl]methyl]-2-methoxy-benzamide Openeye Name: N-[[1-(N-cyano-C-pyrrolidin-1-yl-carbonimidoyl)-4-phenyl-4-piperidyl]methyl]-2-methoxy-benzamide CAS Name: N-[[1-[cyanoimino(1-pyrrolidinyl)methyl]-4-phenyl-4-piperidinyl]methyl]-2-methoxybenzamide IUPAC Name: N-[[1-(N-cyano-C-pyrrolidin-1-ylcarbonimidoyl)-4-phenylpiperidin-4-yl]methyl]-2-methoxybenzamide Traditional Name: N-[[1-(N-cyano-C-pyrrolidino-carbonimidoyl)-4-phenyl-4-piperidyl]methyl]-2-methoxy-benzamide Formula: C26H31N5O2 MolecularWeight: 445.55664

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NCC2(CCN(CC2)C(=NC#N)N3CCCC3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC=C1C(=O)NCC2(CCN(CC2)C(=NC#N)N3CCCC3)C4=CC=CC=C4

InChI

InChI=1S/C26H31N5O2/c1-33-23-12-6-5-11-22(23)24(32)28-19-26(21-9-3-2-4-10-21)13-17-31(18-14-26)25(29-20-27)30-15-7-8-16-30/h2-6,9-12H,7-8,13-19H2,1H3,(H,28,32)