3-(pyridin-4-ylamino)-4-(6-pyridin-3-yloxyhexylamino)cyclobut-3-ene-1,2-dione

Systemtic Name: 3-(pyridin-4-ylamino)-4-(6-pyridin-3-yloxyhexylamino)cyclobut-3-ene-1,2-dione Openeye Name: 3-(4-pyridylamino)-4-[6-(3-pyridyloxy)hexylamino]cyclobut-3-ene-1,2-dione CAS Name: 3-(pyridin-4-ylamino)-4-[6-(3-pyridinyloxy)hexylamino]cyclobut-3-ene-1,2-dione IUPAC Name: 3-(pyridin-4-ylamino)-4-(6-pyridin-3-yloxyhexylamino)cyclobut-3-ene-1,2-dione Traditional Name: 3-(4-pyridylamino)-4-[6-(3-pyridyloxy)hexylamino]cyclobut-3-ene-1,2-quinone Formula: C20H22N4O3 MolecularWeight: 366.41368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O3/c25-19-17(18(20(19)26)24-15-7-11-21-12-8-15)23-10-3-1-2-4-13-27-16-6-5-9-22-14-16/h5-9,11-12,14,23H,1-4,10,13H2,(H,21,24)