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

Systemtic Name: 3-(3-imidazol-1-ylpropyl)-2-methyl-5-nitro-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-one Openeye Name: 3-(3-imidazol-1-ylpropyl)-2-methyl-5-nitro-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-one CAS Name: 3-[3-(1-imidazolyl)propyl]-2-methyl-5-nitro-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-4-pyrimidinone IUPAC Name: 3-(3-imidazol-1-ylpropyl)-2-methyl-5-nitro-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-one Traditional Name: 3-(3-imidazol-1-ylpropyl)-2-methyl-5-nitro-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-one Formula: C21H24N6O3 MolecularWeight: 408.45366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=O)N1CCCN2C=CN=C2)[N+](=O)[O-])N3CCC4=CC=CC=C4CC3

Isomeric SMILES

CC1=NC(=C(C(=O)N1CCCN2C=CN=C2)[N+](=O)[O-])N3CCC4=CC=CC=C4CC3

InChI

InChI=1S/C21H24N6O3/c1-16-23-20(25-12-7-17-5-2-3-6-18(17)8-13-25)19(27(29)30)21(28)26(16)11-4-10-24-14-9-22-15-24/h2-3,5-6,9,14-15H,4,7-8,10-13H2,1H3