4-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-(3-fluorophenyl)-1,4-diazepane-1-carboxamide

Systemtic Name: 4-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-(3-fluorophenyl)-1,4-diazepane-1-carboxamide Openeye Name: 4-[1-(4,6-dimethylpyrimidin-2-yl)-4-piperidyl]-N-(3-fluorophenyl)-1,4-diazepane-1-carboxamide CAS Name: 4-[1-(4,6-dimethyl-2-pyrimidinyl)-4-piperidinyl]-N-(3-fluorophenyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-(3-fluorophenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-[1-(4,6-dimethylpyrimidin-2-yl)-4-piperidyl]-N-(3-fluorophenyl)-1,4-diazepane-1-carboxamide Formula: C23H31FN6O MolecularWeight: 426.530243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2CCC(CC2)N3CCCN(CC3)C(=O)NC4=CC(=CC=C4)F)C

Isomeric SMILES

CC1=CC(=NC(=N1)N2CCC(CC2)N3CCCN(CC3)C(=O)NC4=CC(=CC=C4)F)C

InChI

InChI=1S/C23H31FN6O/c1-17-15-18(2)26-22(25-17)29-11-7-21(8-12-29)28-9-4-10-30(14-13-28)23(31)27-20-6-3-5-19(24)16-20/h3,5-6,15-16,21H,4,7-14H2,1-2H3,(H,27,31)