3-(methylamino)-4-[3-[(phenylmethyl)-pyridin-2-yl-amino]propylamino]cyclobut-3-ene-1,2-dione

Systemtic Name: 3-(methylamino)-4-[3-[(phenylmethyl)-pyridin-2-yl-amino]propylamino]cyclobut-3-ene-1,2-dione Openeye Name: 3-[3-[benzyl(2-pyridyl)amino]propylamino]-4-(methylamino)cyclobut-3-ene-1,2-dione CAS Name: 3-(methylamino)-4-[3-[(phenylmethyl)-(2-pyridinyl)amino]propylamino]cyclobut-3-ene-1,2-dione IUPAC Name: 3-[3-[benzyl(pyridin-2-yl)amino]propylamino]-4-(methylamino)cyclobut-3-ene-1,2-dione Traditional Name: 3-[3-[benzyl(2-pyridyl)amino]propylamino]-4-(methylamino)cyclobut-3-ene-1,2-quinone Formula: C20H22N4O2 MolecularWeight: 350.41428

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C(=O)C1=O)NCCCN(CC2=CC=CC=C2)C3=CC=CC=N3

Isomeric SMILES

CNC1=C(C(=O)C1=O)NCCCN(CC2=CC=CC=C2)C3=CC=CC=N3

InChI

InChI=1S/C20H22N4O2/c1-21-17-18(20(26)19(17)25)23-12-7-13-24(16-10-5-6-11-22-16)14-15-8-3-2-4-9-15/h2-6,8-11,21,23H,7,12-14H2,1H3