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

Systemtic Name: 2-methyl-5-nitro-3-(3-phenylpropyl)-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-one Openeye Name: 2-methyl-5-nitro-3-(3-phenylpropyl)-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-one CAS Name: 2-methyl-5-nitro-3-(3-phenylpropyl)-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-4-pyrimidinone IUPAC Name: 2-methyl-5-nitro-3-(3-phenylpropyl)-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-one Traditional Name: 2-methyl-5-nitro-3-(3-phenylpropyl)-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-one Formula: C24H26N4O3 MolecularWeight: 418.48824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N4O3/c1-18-25-23(26-16-13-20-11-5-6-12-21(20)14-17-26)22(28(30)31)24(29)27(18)15-7-10-19-8-3-2-4-9-19/h2-6,8-9,11-12H,7,10,13-17H2,1H3