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

Systemtic Name: 2-methyl-3-(3-morpholin-4-ylpropyl)-5-nitro-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-one Openeye Name: 2-methyl-3-(3-morpholinopropyl)-5-nitro-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-one CAS Name: 2-methyl-3-[3-(4-morpholinyl)propyl]-5-nitro-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-4-pyrimidinone IUPAC Name: 2-methyl-3-(3-morpholin-4-ylpropyl)-5-nitro-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-one Traditional Name: 2-methyl-3-(3-morpholinopropyl)-5-nitro-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-one Formula: C22H29N5O4 MolecularWeight: 427.49676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=O)N1CCCN2CCOCC2)[N+](=O)[O-])N3CCC4=CC=CC=C4CC3

Isomeric SMILES

CC1=NC(=C(C(=O)N1CCCN2CCOCC2)[N+](=O)[O-])N3CCC4=CC=CC=C4CC3

InChI

InChI=1S/C22H29N5O4/c1-17-23-21(25-11-7-18-5-2-3-6-19(18)8-12-25)20(27(29)30)22(28)26(17)10-4-9-24-13-15-31-16-14-24/h2-3,5-6H,4,7-16H2,1H3