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

Systemtic Name: 3-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]azepan-2-one Openeye Name: 3-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-yl]azepan-2-one CAS Name: 3-[4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazinyl]-2-azepanone IUPAC Name: 3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]azepan-2-one Traditional Name: 3-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazino]azepan-2-one Formula: C18H29N5O MolecularWeight: 331.45576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)C3CCCCNC3=O

Isomeric SMILES

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)C3CCCCNC3=O

InChI

InChI=1S/C18H29N5O/c1-13(2)17-20-14(3)12-16(21-17)23-10-8-22(9-11-23)15-6-4-5-7-19-18(15)24/h12-13,15H,4-11H2,1-3H3,(H,19,24)