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

Systemtic Name: 3-[6-(4-chloranylphenoxy)hexylamino]-4-(pyridin-2-ylamino)cyclobut-3-ene-1,2-dione Openeye Name: 3-[6-(4-chlorophenoxy)hexylamino]-4-(2-pyridylamino)cyclobut-3-ene-1,2-dione CAS Name: 3-[6-(4-chlorophenoxy)hexylamino]-4-(2-pyridinylamino)cyclobut-3-ene-1,2-dione IUPAC Name: 3-[6-(4-chlorophenoxy)hexylamino]-4-(pyridin-2-ylamino)cyclobut-3-ene-1,2-dione Traditional Name: 3-[6-(4-chlorophenoxy)hexylamino]-4-(2-pyridylamino)cyclobut-3-ene-1,2-quinone Formula: C21H22ClN3O3 MolecularWeight: 399.87068

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)NC2=C(C(=O)C2=O)NCCCCCCOC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=NC(=C1)NC2=C(C(=O)C2=O)NCCCCCCOC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H22ClN3O3/c22-15-8-10-16(11-9-15)28-14-6-2-1-4-13-24-18-19(21(27)20(18)26)25-17-7-3-5-12-23-17/h3,5,7-12,24H,1-2,4,6,13-14H2,(H,23,25)