N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-5-methoxy-2-(pyrimidin-5-ylmethylamino)benzamide

Systemtic Name: N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-5-methoxy-2-(pyrimidin-5-ylmethylamino)benzamide Openeye Name: N-[1-(1,3-benzodioxol-5-ylmethyl)-4-piperidyl]-5-methoxy-2-(pyrimidin-5-ylmethylamino)benzamide CAS Name: N-[1-(1,3-benzodioxol-5-ylmethyl)-4-piperidinyl]-5-methoxy-2-(5-pyrimidinylmethylamino)benzamide IUPAC Name: N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-5-methoxy-2-(pyrimidin-5-ylmethylamino)benzamide Traditional Name: 5-methoxy-N-(1-piperonyl-4-piperidyl)-2-(5-pyrimidylmethylamino)benzamide Formula: C26H29N5O4 MolecularWeight: 475.53956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NCC2=CN=CN=C2)C(=O)NC3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC(=C(C=C1)NCC2=CN=CN=C2)C(=O)NC3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H29N5O4/c1-33-21-3-4-23(29-14-19-12-27-16-28-13-19)22(11-21)26(32)30-20-6-8-31(9-7-20)15-18-2-5-24-25(10-18)35-17-34-24/h2-5,10-13,16,20,29H,6-9,14-15,17H2,1H3,(H,30,32)