2-[[4-[3-(cyclohexylamino)-2-oxidanyl-propoxy]phenyl]amino]cyclohepta-2,4,6-trien-1-one

Systemtic Name: 2-[[4-[3-(cyclohexylamino)-2-oxidanyl-propoxy]phenyl]amino]cyclohepta-2,4,6-trien-1-one Openeye Name: 2-[4-[3-(cyclohexylamino)-2-hydroxy-propoxy]anilino]cyclohepta-2,4,6-trien-1-one CAS Name: 2-[4-[3-(cyclohexylamino)-2-hydroxypropoxy]anilino]-1-cyclohepta-2,4,6-trienone IUPAC Name: 2-[4-[3-(cyclohexylamino)-2-hydroxypropoxy]anilino]cyclohepta-2,4,6-trien-1-one Traditional Name: 2-[4-[3-(cyclohexylamino)-2-hydroxy-propoxy]anilino]cyclohepta-2,4,6-trien-1-one Formula: C22H28N2O3 MolecularWeight: 368.46932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NCC(COC2=CC=C(C=C2)NC3=CC=CC=CC3=O)O

Isomeric SMILES

C1CCC(CC1)NCC(COC2=CC=C(C=C2)NC3=CC=CC=CC3=O)O

InChI

InChI=1S/C22H28N2O3/c25-19(15-23-17-7-3-1-4-8-17)16-27-20-13-11-18(12-14-20)24-21-9-5-2-6-10-22(21)26/h2,5-6,9-14,17,19,23,25H,1,3-4,7-8,15-16H2,(H,24,26)