3-(benzimidazol-1-yl)-1-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]propan-1-one

Systemtic Name: 3-(benzimidazol-1-yl)-1-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]propan-1-one Openeye Name: 3-(benzimidazol-1-yl)-1-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-yl]propan-1-one CAS Name: 3-(1-benzimidazolyl)-1-[4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(benzimidazol-1-yl)-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one Traditional Name: 3-(benzimidazol-1-yl)-1-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazino]propan-1-one Formula: C22H28N6O MolecularWeight: 392.49732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)C(=O)CCN3C=NC4=CC=CC=C43

Isomeric SMILES

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)C(=O)CCN3C=NC4=CC=CC=C43

InChI

InChI=1S/C22H28N6O/c1-16(2)22-24-17(3)14-20(25-22)26-10-12-27(13-11-26)21(29)8-9-28-15-23-18-6-4-5-7-19(18)28/h4-7,14-16H,8-13H2,1-3H3