N-(2-dimethylaminoethyl)-N-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-(2-dimethylaminoethyl)-N-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-(2-dimethylaminoethyl)-N-[1-(4,6-dimethylpyrimidin-2-yl)-4-piperidyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-(2-dimethylaminoethyl)-N-[1-(4,6-dimethyl-2-pyrimidinyl)-4-piperidinyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-(2-dimethylaminoethyl)-N-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-(2-dimethylaminoethyl)-N-[1-(4,6-dimethylpyrimidin-2-yl)-4-piperidyl]-piperonylamide Formula: C23H31N5O3 MolecularWeight: 425.52394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2CCC(CC2)N(CCN(C)C)C(=O)C3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CC1=CC(=NC(=N1)N2CCC(CC2)N(CCN(C)C)C(=O)C3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C23H31N5O3/c1-16-13-17(2)25-23(24-16)27-9-7-19(8-10-27)28(12-11-26(3)4)22(29)18-5-6-20-21(14-18)31-15-30-20/h5-6,13-14,19H,7-12,15H2,1-4H3