1-(1,3-benzodioxol-5-ylmethyl)-4-pyrimidin-2-yl-1,4-diazepane

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-pyrimidin-2-yl-1,4-diazepane Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-pyrimidin-2-yl-1,4-diazepane CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2-pyrimidinyl)-1,4-diazepane IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-pyrimidin-2-yl-1,4-diazepane Traditional Name: 1-piperonyl-4-(2-pyrimidyl)-1,4-diazepane Formula: C17H20N4O2 MolecularWeight: 312.3663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C2=NC=CC=N2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CCN(C1)C2=NC=CC=N2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H20N4O2/c1-5-18-17(19-6-1)21-8-2-7-20(9-10-21)12-14-3-4-15-16(11-14)23-13-22-15/h1,3-6,11H,2,7-10,12-13H2