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

Systemtic Name: 3-[4-(4-chloranylphenoxy)butylamino]-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione Openeye Name: 3-[4-(4-chlorophenoxy)butylamino]-4-(4-pyridylamino)cyclobut-3-ene-1,2-dione CAS Name: 3-[4-(4-chlorophenoxy)butylamino]-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione IUPAC Name: 3-[4-(4-chlorophenoxy)butylamino]-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione Traditional Name: 3-[4-(4-chlorophenoxy)butylamino]-4-(4-pyridylamino)cyclobut-3-ene-1,2-quinone Formula: C19H18ClN3O3 MolecularWeight: 371.81752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OCCCCNC2=C(C(=O)C2=O)NC3=CC=NC=C3)Cl

Isomeric SMILES

C1=CC(=CC=C1OCCCCNC2=C(C(=O)C2=O)NC3=CC=NC=C3)Cl

InChI

InChI=1S/C19H18ClN3O3/c20-13-3-5-15(6-4-13)26-12-2-1-9-22-16-17(19(25)18(16)24)23-14-7-10-21-11-8-14/h3-8,10-11,22H,1-2,9,12H2,(H,21,23)