3-[6-(4-chloranylphenoxy)hexyl-methyl-amino]-4-(pyridin-3-ylamino)cyclobut-3-ene-1,2-dione

Systemtic Name: 3-[6-(4-chloranylphenoxy)hexyl-methyl-amino]-4-(pyridin-3-ylamino)cyclobut-3-ene-1,2-dione Openeye Name: 3-[6-(4-chlorophenoxy)hexyl-methyl-amino]-4-(3-pyridylamino)cyclobut-3-ene-1,2-dione CAS Name: 3-[6-(4-chlorophenoxy)hexyl-methylamino]-4-(3-pyridinylamino)cyclobut-3-ene-1,2-dione IUPAC Name: 3-[6-(4-chlorophenoxy)hexyl-methylamino]-4-(pyridin-3-ylamino)cyclobut-3-ene-1,2-dione Traditional Name: 3-[6-(4-chlorophenoxy)hexyl-methyl-amino]-4-(3-pyridylamino)cyclobut-3-ene-1,2-quinone Formula: C22H24ClN3O3 MolecularWeight: 413.89726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCCCCCOC1=CC=C(C=C1)Cl)C2=C(C(=O)C2=O)NC3=CN=CC=C3

Isomeric SMILES

CN(CCCCCCOC1=CC=C(C=C1)Cl)C2=C(C(=O)C2=O)NC3=CN=CC=C3

InChI

InChI=1S/C22H24ClN3O3/c1-26(13-4-2-3-5-14-29-18-10-8-16(23)9-11-18)20-19(21(27)22(20)28)25-17-7-6-12-24-15-17/h6-12,15,25H,2-5,13-14H2,1H3