2-(1,3-benzodioxol-5-ylmethylamino)-N-cycloheptyl-4-methyl-pyrimidine-5-carboxamide

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylamino)-N-cycloheptyl-4-methyl-pyrimidine-5-carboxamide Openeye Name: 2-(1,3-benzodioxol-5-ylmethylamino)-N-cycloheptyl-4-methyl-pyrimidine-5-carboxamide CAS Name: 2-(1,3-benzodioxol-5-ylmethylamino)-N-cycloheptyl-4-methyl-5-pyrimidinecarboxamide IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylamino)-N-cycloheptyl-4-methylpyrimidine-5-carboxamide Traditional Name: N-cycloheptyl-4-methyl-2-(piperonylamino)pyrimidine-5-carboxamide Formula: C21H26N4O3 MolecularWeight: 382.45614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1C(=O)NC2CCCCCC2)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=NC(=NC=C1C(=O)NC2CCCCCC2)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H26N4O3/c1-14-17(20(26)25-16-6-4-2-3-5-7-16)12-23-21(24-14)22-11-15-8-9-18-19(10-15)28-13-27-18/h8-10,12,16H,2-7,11,13H2,1H3,(H,25,26)(H,22,23,24)