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

Systemtic Name: 2-methyl-5-nitro-3-propyl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-one Openeye Name: 2-methyl-5-nitro-3-propyl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-one CAS Name: 2-methyl-5-nitro-3-propyl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-4-pyrimidinone IUPAC Name: 2-methyl-5-nitro-3-propyl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-one Traditional Name: 2-methyl-5-nitro-3-propyl-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:

CCCN1C(=NC(=C(C1=O)[N+](=O)[O-])N2CCC3=CC=CC=C3CC2)C

Isomeric SMILES

CCCN1C(=NC(=C(C1=O)[N+](=O)[O-])N2CCC3=CC=CC=C3CC2)C

InChI

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