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

Systemtic Name: 2-[[4-[3-(tert-butylamino)-2-oxidanyl-propoxy]phenyl]amino]-5-chloranyl-cyclohepta-2,4,6-trien-1-one Openeye Name: 2-[4-[3-(tert-butylamino)-2-hydroxy-propoxy]anilino]-5-chloro-cyclohepta-2,4,6-trien-1-one CAS Name: 2-[4-[3-(tert-butylamino)-2-hydroxypropoxy]anilino]-5-chloro-1-cyclohepta-2,4,6-trienone IUPAC Name: 2-[4-[3-(tert-butylamino)-2-hydroxypropoxy]anilino]-5-chlorocyclohepta-2,4,6-trien-1-one Traditional Name: 2-[4-[3-(tert-butylamino)-2-hydroxy-propoxy]anilino]-5-chloro-cyclohepta-2,4,6-trien-1-one Formula: C20H25ClN2O3 MolecularWeight: 376.8771

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC(COC1=CC=C(C=C1)NC2=CC=C(C=CC2=O)Cl)O

Isomeric SMILES

CC(C)(C)NCC(COC1=CC=C(C=C1)NC2=CC=C(C=CC2=O)Cl)O

InChI

InChI=1S/C20H25ClN2O3/c1-20(2,3)22-12-16(24)13-26-17-8-6-15(7-9-17)23-18-10-4-14(21)5-11-19(18)25/h4-11,16,22,24H,12-13H2,1-3H3,(H,23,25)