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

Systemtic Name: 4-[2-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]propanoylamino]benzamide Openeye Name: 4-[2-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-yl]propanoylamino]benzamide CAS Name: 4-[[2-[4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazinyl]-1-oxopropyl]amino]benzamide IUPAC Name: 4-[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanoylamino]benzamide Traditional Name: 4-[2-[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)C(C)C(=O)NC3=CC=C(C=C3)C(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C22H30N6O2/c1-14(2)21-24-15(3)13-19(26-21)28-11-9-27(10-12-28)16(4)22(30)25-18-7-5-17(6-8-18)20(23)29/h5-8,13-14,16H,9-12H2,1-4H3,(H2,23,29)(H,25,30)