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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)NC2=C(C(=O)C2=O)NCCCCCOC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC(=CN=C1)NC2=C(C(=O)C2=O)NCCCCCOC3=CC=C(C=C3)Cl

InChI

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