N-[[1-[N'-(3-azanylpropyl)-N-cyano-carbamimidoyl]-4-phenyl-piperidin-4-yl]methyl]-2-methoxy-benzamide

Systemtic Name: N-[[1-[N'-(3-azanylpropyl)-N-cyano-carbamimidoyl]-4-phenyl-piperidin-4-yl]methyl]-2-methoxy-benzamide Openeye Name: N-[[1-[N'-(3-aminopropyl)-N-cyano-carbamimidoyl]-4-phenyl-4-piperidyl]methyl]-2-methoxy-benzamide CAS Name: N-[[1-[3-aminopropylimino-(cyanoamino)methyl]-4-phenyl-4-piperidinyl]methyl]-2-methoxybenzamide IUPAC Name: N-[[1-[N'-(3-aminopropyl)-N-cyanocarbamimidoyl]-4-phenylpiperidin-4-yl]methyl]-2-methoxybenzamide Traditional Name: N-[[1-[N'-(3-aminopropyl)-N-cyano-amidino]-4-phenyl-4-piperidyl]methyl]-2-methoxy-benzamide Formula: C25H32N6O2 MolecularWeight: 448.56058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N6O2/c1-33-22-11-6-5-10-21(22)23(32)29-18-25(20-8-3-2-4-9-20)12-16-31(17-13-25)24(30-19-27)28-15-7-14-26/h2-6,8-11H,7,12-18,26H2,1H3,(H,28,30)(H,29,32)