6-(acridin-9-ylamino)-1-[3-(chloromethyl)-6-oxidanyl-2,3-dihydroindol-1-yl]hexan-1-one

Systemtic Name: 6-(acridin-9-ylamino)-1-[3-(chloromethyl)-6-oxidanyl-2,3-dihydroindol-1-yl]hexan-1-one Openeye Name: 6-(acridin-9-ylamino)-1-[3-(chloromethyl)-6-hydroxy-indolin-1-yl]hexan-1-one CAS Name: 6-(9-acridinylamino)-1-[3-(chloromethyl)-6-hydroxy-2,3-dihydroindol-1-yl]-1-hexanone IUPAC Name: 6-(acridin-9-ylamino)-1-[3-(chloromethyl)-6-hydroxy-2,3-dihydroindol-1-yl]hexan-1-one Traditional Name: 6-(acridin-9-ylamino)-1-[3-(chloromethyl)-6-hydroxy-indolin-1-yl]hexan-1-one Formula: C28H28ClN3O2 MolecularWeight: 473.99382

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=C(N1C(=O)CCCCCNC3=C4C=CC=CC4=NC5=CC=CC=C53)C=C(C=C2)O)CCl

Isomeric SMILES

C1C(C2=C(N1C(=O)CCCCCNC3=C4C=CC=CC4=NC5=CC=CC=C53)C=C(C=C2)O)CCl

InChI

InChI=1S/C28H28ClN3O2/c29-17-19-18-32(26-16-20(33)13-14-21(19)26)27(34)12-2-1-7-15-30-28-22-8-3-5-10-24(22)31-25-11-6-4-9-23(25)28/h3-6,8-11,13-14,16,19,33H,1-2,7,12,15,17-18H2,(H,30,31)