2-[2-[4,4-bis(4-fluorophenyl)butyl]-1,4-diazepan-1-yl]pyridine-3-carboxamide

Systemtic Name: 2-[2-[4,4-bis(4-fluorophenyl)butyl]-1,4-diazepan-1-yl]pyridine-3-carboxamide Openeye Name: 2-[2-[4,4-bis(4-fluorophenyl)butyl]-1,4-diazepan-1-yl]pyridine-3-carboxamide CAS Name: 2-[2-[4,4-bis(4-fluorophenyl)butyl]-1,4-diazepan-1-yl]-3-pyridinecarboxamide IUPAC Name: 2-[2-[4,4-bis(4-fluorophenyl)butyl]-1,4-diazepan-1-yl]pyridine-3-carboxamide Traditional Name: 2-[2-[4,4-bis(4-fluorophenyl)butyl]-1,4-diazepan-1-yl]nicotinamide Formula: C27H30F2N4O MolecularWeight: 464.550106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCC(N(C1)C2=C(C=CC=N2)C(=O)N)CCCC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

Isomeric SMILES

C1CNCC(N(C1)C2=C(C=CC=N2)C(=O)N)CCCC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

InChI

InChI=1S/C27H30F2N4O/c28-21-11-7-19(8-12-21)24(20-9-13-22(29)14-10-20)5-1-4-23-18-31-15-3-17-33(23)27-25(26(30)34)6-2-16-32-27/h2,6-14,16,23-24,31H,1,3-5,15,17-18H2,(H2,30,34)