3-(pyridin-4-ylamino)-4-(7-pyridin-3-yloxyheptylamino)cyclobut-3-ene-1,2-dione

Systemtic Name: 3-(pyridin-4-ylamino)-4-(7-pyridin-3-yloxyheptylamino)cyclobut-3-ene-1,2-dione Openeye Name: 3-(4-pyridylamino)-4-[7-(3-pyridyloxy)heptylamino]cyclobut-3-ene-1,2-dione CAS Name: 3-(pyridin-4-ylamino)-4-[7-(3-pyridinyloxy)heptylamino]cyclobut-3-ene-1,2-dione IUPAC Name: 3-(pyridin-4-ylamino)-4-(7-pyridin-3-yloxyheptylamino)cyclobut-3-ene-1,2-dione Traditional Name: 3-(4-pyridylamino)-4-[7-(3-pyridyloxy)heptylamino]cyclobut-3-ene-1,2-quinone Formula: C21H24N4O3 MolecularWeight: 380.44026

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)OCCCCCCCNC2=C(C(=O)C2=O)NC3=CC=NC=C3

Isomeric SMILES

C1=CC(=CN=C1)OCCCCCCCNC2=C(C(=O)C2=O)NC3=CC=NC=C3

InChI

InChI=1S/C21H24N4O3/c26-20-18(19(21(20)27)25-16-8-12-22-13-9-16)24-11-4-2-1-3-5-14-28-17-7-6-10-23-15-17/h6-10,12-13,15,24H,1-5,11,14H2,(H,22,25)