N-[2-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]-2-oxidanylidene-ethyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[2-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]-2-oxidanylidene-ethyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-yl]-2-oxo-ethyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-[4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazinyl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazino]-2-keto-ethyl]-piperonylamide Formula: C22H27N5O4 MolecularWeight: 425.48088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)C(=O)CNC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)C(=O)CNC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H27N5O4/c1-14(2)21-24-15(3)10-19(25-21)26-6-8-27(9-7-26)20(28)12-23-22(29)16-4-5-17-18(11-16)31-13-30-17/h4-5,10-11,14H,6-9,12-13H2,1-3H3,(H,23,29)