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

Systemtic Name: 3-[6-(4-methoxyphenoxy)hexylamino]-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione Openeye Name: 3-[6-(4-methoxyphenoxy)hexylamino]-4-(4-pyridylamino)cyclobut-3-ene-1,2-dione CAS Name: 3-[6-(4-methoxyphenoxy)hexylamino]-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione IUPAC Name: 3-[6-(4-methoxyphenoxy)hexylamino]-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione Traditional Name: 3-[6-(4-methoxyphenoxy)hexylamino]-4-(4-pyridylamino)cyclobut-3-ene-1,2-quinone Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCCCCCCNC2=C(C(=O)C2=O)NC3=CC=NC=C3

Isomeric SMILES

COC1=CC=C(C=C1)OCCCCCCNC2=C(C(=O)C2=O)NC3=CC=NC=C3

InChI

InChI=1S/C22H25N3O4/c1-28-17-6-8-18(9-7-17)29-15-5-3-2-4-12-24-19-20(22(27)21(19)26)25-16-10-13-23-14-11-16/h6-11,13-14,24H,2-5,12,15H2,1H3,(H,23,25)