4-[3-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]propanoylamino]benzamide

Systemtic Name: 4-[3-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]propanoylamino]benzamide Openeye Name: 4-[3-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-yl]propanoylamino]benzamide CAS Name: 4-[[3-[4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazinyl]-1-oxopropyl]amino]benzamide IUPAC Name: 4-[3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanoylamino]benzamide Traditional Name: 4-[3-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazino]propanoylamino]benzamide Formula: C22H30N6O2 MolecularWeight: 410.5126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)CCC(=O)NC3=CC=C(C=C3)C(=O)N

Isomeric SMILES

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)CCC(=O)NC3=CC=C(C=C3)C(=O)N

InChI

InChI=1S/C22H30N6O2/c1-15(2)22-24-16(3)14-19(26-22)28-12-10-27(11-13-28)9-8-20(29)25-18-6-4-17(5-7-18)21(23)30/h4-7,14-15H,8-13H2,1-3H3,(H2,23,30)(H,25,29)