6-(7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2-methyl-5-nitro-1H-pyrimidin-4-one

Systemtic Name: 6-(7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2-methyl-5-nitro-1H-pyrimidin-4-one Openeye Name: 6-(7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2-methyl-5-nitro-1H-pyrimidin-4-one CAS Name: 6-(7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2-methyl-5-nitro-1H-pyrimidin-4-one IUPAC Name: 6-(7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2-methyl-5-nitro-1H-pyrimidin-4-one Traditional Name: 6-(7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2-methyl-5-nitro-1H-pyrimidin-4-one Formula: C16H18N4O4 MolecularWeight: 330.33852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C(=C(N1)N2CCC3=C(CC2)C=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=O)C(=C(N1)N2CCC3=C(CC2)C=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C16H18N4O4/c1-10-17-15(14(20(22)23)16(21)18-10)19-7-5-11-3-4-13(24-2)9-12(11)6-8-19/h3-4,9H,5-8H2,1-2H3,(H,17,18,21)