2-methyl-5-nitro-3-propan-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-one

Systemtic Name: 2-methyl-5-nitro-3-propan-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-one Openeye Name: 3-isopropyl-2-methyl-5-nitro-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-one CAS Name: 2-methyl-5-nitro-3-propan-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-4-pyrimidinone IUPAC Name: 2-methyl-5-nitro-3-propan-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-one Traditional Name: 3-isopropyl-2-methyl-5-nitro-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-one Formula: C18H22N4O3 MolecularWeight: 342.39228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=O)N1C(C)C)[N+](=O)[O-])N2CCC3=CC=CC=C3CC2

Isomeric SMILES

CC1=NC(=C(C(=O)N1C(C)C)[N+](=O)[O-])N2CCC3=CC=CC=C3CC2

InChI

InChI=1S/C18H22N4O3/c1-12(2)21-13(3)19-17(16(18(21)23)22(24)25)20-10-8-14-6-4-5-7-15(14)9-11-20/h4-7,12H,8-11H2,1-3H3