3-[7-(4-chloranylphenoxy)heptylamino]-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione

Systemtic Name: 3-[7-(4-chloranylphenoxy)heptylamino]-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione Openeye Name: 3-[7-(4-chlorophenoxy)heptylamino]-4-(4-pyridylamino)cyclobut-3-ene-1,2-dione CAS Name: 3-[7-(4-chlorophenoxy)heptylamino]-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione IUPAC Name: 3-[7-(4-chlorophenoxy)heptylamino]-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione Traditional Name: 3-[7-(4-chlorophenoxy)heptylamino]-4-(4-pyridylamino)cyclobut-3-ene-1,2-quinone Formula: C22H24ClN3O3 MolecularWeight: 413.89726

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OCCCCCCCNC2=C(C(=O)C2=O)NC3=CC=NC=C3)Cl

Isomeric SMILES

C1=CC(=CC=C1OCCCCCCCNC2=C(C(=O)C2=O)NC3=CC=NC=C3)Cl

InChI

InChI=1S/C22H24ClN3O3/c23-16-6-8-18(9-7-16)29-15-5-3-1-2-4-12-25-19-20(22(28)21(19)27)26-17-10-13-24-14-11-17/h6-11,13-14,25H,1-5,12,15H2,(H,24,26)