3-[3-[(4-fluorophenyl)methyl-pyridin-2-yl-amino]propylamino]-4-(pyridin-4-ylmethylamino)cyclobut-3-ene-1,2-dione

Systemtic Name: 3-[3-[(4-fluorophenyl)methyl-pyridin-2-yl-amino]propylamino]-4-(pyridin-4-ylmethylamino)cyclobut-3-ene-1,2-dione Openeye Name: 3-[3-[(4-fluorophenyl)methyl-(2-pyridyl)amino]propylamino]-4-(4-pyridylmethylamino)cyclobut-3-ene-1,2-dione CAS Name: 3-[3-[(4-fluorophenyl)methyl-(2-pyridinyl)amino]propylamino]-4-(pyridin-4-ylmethylamino)cyclobut-3-ene-1,2-dione IUPAC Name: 3-[3-[(4-fluorophenyl)methyl-pyridin-2-ylamino]propylamino]-4-(pyridin-4-ylmethylamino)cyclobut-3-ene-1,2-dione Traditional Name: 3-[3-[(4-fluorobenzyl)-(2-pyridyl)amino]propylamino]-4-(4-pyridylmethylamino)cyclobut-3-ene-1,2-quinone Formula: C25H24FN5O2 MolecularWeight: 445.488763

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)N(CCCNC2=C(C(=O)C2=O)NCC3=CC=NC=C3)CC4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=NC(=C1)N(CCCNC2=C(C(=O)C2=O)NCC3=CC=NC=C3)CC4=CC=C(C=C4)F

InChI

InChI=1S/C25H24FN5O2/c26-20-7-5-19(6-8-20)17-31(21-4-1-2-11-28-21)15-3-12-29-22-23(25(33)24(22)32)30-16-18-9-13-27-14-10-18/h1-2,4-11,13-14,29-30H,3,12,15-17H2