N'-[(1-carbamimidoylpiperidin-4-yl)methyl]-2-(cyclohexylmethyl)-2-(2-fluorophenyl)butanediamide

Systemtic Name: N'-[(1-carbamimidoylpiperidin-4-yl)methyl]-2-(cyclohexylmethyl)-2-(2-fluorophenyl)butanediamide Openeye Name: N'-[(1-carbamimidoyl-4-piperidyl)methyl]-2-(cyclohexylmethyl)-2-(2-fluorophenyl)butanediamide CAS Name: N'-[(1-carbamimidoyl-4-piperidinyl)methyl]-2-(cyclohexylmethyl)-2-(2-fluorophenyl)butanediamide IUPAC Name: N'-[(1-carbamimidoylpiperidin-4-yl)methyl]-2-(cyclohexylmethyl)-2-(2-fluorophenyl)butanediamide Traditional Name: N'-[(1-amidino-4-piperidyl)methyl]-2-(cyclohexylmethyl)-2-(2-fluorophenyl)succinamide Formula: C24H36FN5O2 MolecularWeight: 445.573343

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(CC(=O)NCC2CCN(CC2)C(=N)N)(C3=CC=CC=C3F)C(=O)N

Isomeric SMILES

C1CCC(CC1)CC(CC(=O)NCC2CCN(CC2)C(=N)N)(C3=CC=CC=C3F)C(=O)N

InChI

InChI=1S/C24H36FN5O2/c25-20-9-5-4-8-19(20)24(22(26)32,14-17-6-2-1-3-7-17)15-21(31)29-16-18-10-12-30(13-11-18)23(27)28/h4-5,8-9,17-18H,1-3,6-7,10-16H2,(H2,26,32)(H3,27,28)(H,29,31)