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

Systemtic Name: 2-methyl-5-nitro-3-(3-pyridin-3-ylpropyl)-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-one Openeye Name: 2-methyl-5-nitro-3-[3-(3-pyridyl)propyl]-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-one CAS Name: 2-methyl-5-nitro-3-[3-(3-pyridinyl)propyl]-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-4-pyrimidinone IUPAC Name: 2-methyl-5-nitro-3-(3-pyridin-3-ylpropyl)-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-one Traditional Name: 2-methyl-5-nitro-3-[3-(3-pyridyl)propyl]-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-one Formula: C23H25N5O3 MolecularWeight: 419.4763

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=O)N1CCCC2=CN=CC=C2)[N+](=O)[O-])N3CCC4=CC=CC=C4CC3

Isomeric SMILES

CC1=NC(=C(C(=O)N1CCCC2=CN=CC=C2)[N+](=O)[O-])N3CCC4=CC=CC=C4CC3

InChI

InChI=1S/C23H25N5O3/c1-17-25-22(26-14-10-19-8-2-3-9-20(19)11-15-26)21(28(30)31)23(29)27(17)13-5-7-18-6-4-12-24-16-18/h2-4,6,8-9,12,16H,5,7,10-11,13-15H2,1H3