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

Systemtic Name: 3-[3-[(4-fluorophenyl)methyl-pyridin-2-yl-amino]propylamino]-4-(pyridin-3-ylmethylamino)cyclobut-3-ene-1,2-dione Openeye Name: 3-[3-[(4-fluorophenyl)methyl-(2-pyridyl)amino]propylamino]-4-(3-pyridylmethylamino)cyclobut-3-ene-1,2-dione CAS Name: 3-[3-[(4-fluorophenyl)methyl-(2-pyridinyl)amino]propylamino]-4-(3-pyridinylmethylamino)cyclobut-3-ene-1,2-dione IUPAC Name: 3-[3-[(4-fluorophenyl)methyl-pyridin-2-ylamino]propylamino]-4-(pyridin-3-ylmethylamino)cyclobut-3-ene-1,2-dione Traditional Name: 3-[3-[(4-fluorobenzyl)-(2-pyridyl)amino]propylamino]-4-(3-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=CN=CC=C3)CC4=CC=C(C=C4)F

Isomeric SMILES

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

InChI

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