3-(methylamino)-4-[3-[4-(piperidin-1-ylmethyl)pyridin-2-yl]oxypropylamino]cyclobut-3-ene-1,2-dione

Systemtic Name: 3-(methylamino)-4-[3-[4-(piperidin-1-ylmethyl)pyridin-2-yl]oxypropylamino]cyclobut-3-ene-1,2-dione Openeye Name: 3-(methylamino)-4-[3-[[4-(1-piperidylmethyl)-2-pyridyl]oxy]propylamino]cyclobut-3-ene-1,2-dione CAS Name: 3-(methylamino)-4-[3-[[4-(1-piperidinylmethyl)-2-pyridinyl]oxy]propylamino]cyclobut-3-ene-1,2-dione IUPAC Name: 3-(methylamino)-4-[3-[4-(piperidin-1-ylmethyl)pyridin-2-yl]oxypropylamino]cyclobut-3-ene-1,2-dione Traditional Name: 3-(methylamino)-4-[3-[[4-(piperidinomethyl)-2-pyridyl]oxy]propylamino]cyclobut-3-ene-1,2-quinone Formula: C19H26N4O3 MolecularWeight: 358.43474

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C(=O)C1=O)NCCCOC2=NC=CC(=C2)CN3CCCCC3

Isomeric SMILES

CNC1=C(C(=O)C1=O)NCCCOC2=NC=CC(=C2)CN3CCCCC3

InChI

InChI=1S/C19H26N4O3/c1-20-16-17(19(25)18(16)24)22-7-5-11-26-15-12-14(6-8-21-15)13-23-9-3-2-4-10-23/h6,8,12,20,22H,2-5,7,9-11,13H2,1H3