3-[5-(4-chloranylphenoxy)pentylamino]-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione

Systemtic Name: 3-[5-(4-chloranylphenoxy)pentylamino]-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione Openeye Name: 3-[5-(4-chlorophenoxy)pentylamino]-4-(4-pyridylamino)cyclobut-3-ene-1,2-dione CAS Name: 3-[5-(4-chlorophenoxy)pentylamino]-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione IUPAC Name: 3-[5-(4-chlorophenoxy)pentylamino]-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione Traditional Name: 3-[5-(4-chlorophenoxy)pentylamino]-4-(4-pyridylamino)cyclobut-3-ene-1,2-quinone Formula: C20H20ClN3O3 MolecularWeight: 385.8441

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OCCCCCNC2=C(C(=O)C2=O)NC3=CC=NC=C3)Cl

Isomeric SMILES

C1=CC(=CC=C1OCCCCCNC2=C(C(=O)C2=O)NC3=CC=NC=C3)Cl

InChI

InChI=1S/C20H20ClN3O3/c21-14-4-6-16(7-5-14)27-13-3-1-2-10-23-17-18(20(26)19(17)25)24-15-8-11-22-12-9-15/h4-9,11-12,23H,1-3,10,13H2,(H,22,24)