3-[3-(azepan-1-yl)propyl]-6-fluoranyl-1,2-benzoxazole; ethanedioic acid

Systemtic Name: 3-[3-(azepan-1-yl)propyl]-6-fluoranyl-1,2-benzoxazole; ethanedioic acid Openeye Name: 3-[3-(azepan-1-yl)propyl]-6-fluoro-1,2-benzoxazole; oxalic acid CAS Name: 3-[3-(1-azepanyl)propyl]-6-fluoro-1,2-benzoxazole; oxalic acid IUPAC Name: 3-[3-(azepan-1-yl)propyl]-6-fluoro-1,2-benzoxazole; oxalic acid Traditional Name: 3-[3-(azepan-1-yl)propyl]-6-fluoro-indoxazene; oxalic acid Formula: C18H23FN2O5 MolecularWeight: 366.384023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCCC2=NOC3=C2C=CC(=C3)F.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCCN(CC1)CCCC2=NOC3=C2C=CC(=C3)F.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H21FN2O.C2H2O4/c17-13-7-8-14-15(18-20-16(14)12-13)6-5-11-19-9-3-1-2-4-10-19;3-1(4)2(5)6/h7-8,12H,1-6,9-11H2;(H,3,4)(H,5,6)