3-[2-methyl-5-nitro-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]oxypropan-1-ol

Systemtic Name: 3-[2-methyl-5-nitro-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]oxypropan-1-ol Openeye Name: 3-[2-methyl-5-nitro-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]oxypropan-1-ol CAS Name: 3-[[2-methyl-5-nitro-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-4-pyrimidinyl]oxy]-1-propanol IUPAC Name: 3-[2-methyl-5-nitro-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]oxypropan-1-ol Traditional Name: 3-[2-methyl-5-nitro-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]oxypropan-1-ol Formula: C18H22N4O4 MolecularWeight: 358.39168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=N1)OCCCO)[N+](=O)[O-])N2CCC3=CC=CC=C3CC2

Isomeric SMILES

CC1=NC(=C(C(=N1)OCCCO)[N+](=O)[O-])N2CCC3=CC=CC=C3CC2

InChI

InChI=1S/C18H22N4O4/c1-13-19-17(16(22(24)25)18(20-13)26-12-4-11-23)21-9-7-14-5-2-3-6-15(14)8-10-21/h2-3,5-6,23H,4,7-12H2,1H3