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

Systemtic Name: 5-chloranyl-2-[[4-[3-(cyclohexylamino)-2-oxidanyl-propoxy]phenyl]amino]cyclohepta-2,4,6-trien-1-one Openeye Name: 5-chloro-2-[4-[3-(cyclohexylamino)-2-hydroxy-propoxy]anilino]cyclohepta-2,4,6-trien-1-one CAS Name: 5-chloro-2-[4-[3-(cyclohexylamino)-2-hydroxypropoxy]anilino]-1-cyclohepta-2,4,6-trienone IUPAC Name: 5-chloro-2-[4-[3-(cyclohexylamino)-2-hydroxypropoxy]anilino]cyclohepta-2,4,6-trien-1-one Traditional Name: 5-chloro-2-[4-[3-(cyclohexylamino)-2-hydroxy-propoxy]anilino]cyclohepta-2,4,6-trien-1-one Formula: C22H27ClN2O3 MolecularWeight: 402.91438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27ClN2O3/c23-16-6-12-21(22(27)13-7-16)25-18-8-10-20(11-9-18)28-15-19(26)14-24-17-4-2-1-3-5-17/h6-13,17,19,24,26H,1-5,14-15H2,(H,25,27)