7-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]carbonyl-4H-1,4-benzoxazin-3-one

Systemtic Name: 7-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]carbonyl-4H-1,4-benzoxazin-3-one Openeye Name: 7-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazine-1-carbonyl]-4H-1,4-benzoxazin-3-one CAS Name: 7-[[4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazinyl]-oxomethyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 7-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carbonyl]-4H-1,4-benzoxazin-3-one Traditional Name: 7-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazine-1-carbonyl]-4H-1,4-benzoxazin-3-one Formula: C21H25N5O3 MolecularWeight: 395.4549

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)NC(=O)CO4

Isomeric SMILES

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)NC(=O)CO4

InChI

InChI=1S/C21H25N5O3/c1-13(2)20-22-14(3)10-18(24-20)25-6-8-26(9-7-25)21(28)15-4-5-16-17(11-15)29-12-19(27)23-16/h4-5,10-11,13H,6-9,12H2,1-3H3,(H,23,27)