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

Systemtic Name: 3-[6-(4-methylphenoxy)hexylamino]-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione Openeye Name: 3-[6-(4-methylphenoxy)hexylamino]-4-(4-pyridylamino)cyclobut-3-ene-1,2-dione CAS Name: 3-[6-(4-methylphenoxy)hexylamino]-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione IUPAC Name: 3-[6-(4-methylphenoxy)hexylamino]-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione Traditional Name: 3-[6-(4-methylphenoxy)hexylamino]-4-(4-pyridylamino)cyclobut-3-ene-1,2-quinone Formula: C22H25N3O3 MolecularWeight: 379.4522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCCCCCCNC2=C(C(=O)C2=O)NC3=CC=NC=C3

Isomeric SMILES

CC1=CC=C(C=C1)OCCCCCCNC2=C(C(=O)C2=O)NC3=CC=NC=C3

InChI

InChI=1S/C22H25N3O3/c1-16-6-8-18(9-7-16)28-15-5-3-2-4-12-24-19-20(22(27)21(19)26)25-17-10-13-23-14-11-17/h6-11,13-14,24H,2-5,12,15H2,1H3,(H,23,25)