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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN3O3/c22-15-7-9-17(10-8-15)28-13-4-2-1-3-12-24-18-19(21(27)20(18)26)25-16-6-5-11-23-14-16/h5-11,14,24-25H,1-4,12-13H2