N-(1-cyanocyclohexyl)-2-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-N-methyl-ethanamide

Systemtic Name: N-(1-cyanocyclohexyl)-2-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-N-methyl-ethanamide Openeye Name: N-(1-cyanocyclohexyl)-2-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-N-methyl-acetamide CAS Name: N-(1-cyanocyclohexyl)-2-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-N-methylacetamide IUPAC Name: N-(1-cyanocyclohexyl)-2-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-N-methylacetamide Traditional Name: N-(1-cyanocyclohexyl)-2-[4-(4-fluorobenzyl)-1,4-diazepan-1-yl]-N-methyl-acetamide Formula: C22H31FN4O MolecularWeight: 386.506143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)CN1CCCN(CC1)CC2=CC=C(C=C2)F)C3(CCCCC3)C#N

Isomeric SMILES

CN(C(=O)CN1CCCN(CC1)CC2=CC=C(C=C2)F)C3(CCCCC3)C#N

InChI

InChI=1S/C22H31FN4O/c1-25(22(18-24)10-3-2-4-11-22)21(28)17-27-13-5-12-26(14-15-27)16-19-6-8-20(23)9-7-19/h6-9H,2-5,10-17H2,1H3