1-[3-[[6-methyl-2-(3-nitrophenyl)pyrimidin-4-yl]amino]propyl]azepan-2-one

Systemtic Name: 1-[3-[[6-methyl-2-(3-nitrophenyl)pyrimidin-4-yl]amino]propyl]azepan-2-one Openeye Name: 1-[3-[[6-methyl-2-(3-nitrophenyl)pyrimidin-4-yl]amino]propyl]azepan-2-one CAS Name: 1-[3-[[6-methyl-2-(3-nitrophenyl)-4-pyrimidinyl]amino]propyl]-2-azepanone IUPAC Name: 1-[3-[[6-methyl-2-(3-nitrophenyl)pyrimidin-4-yl]amino]propyl]azepan-2-one Traditional Name: 1-[3-[[6-methyl-2-(3-nitrophenyl)pyrimidin-4-yl]amino]propyl]azepan-2-one Formula: C20H25N5O3 MolecularWeight: 383.4442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C2=CC(=CC=C2)[N+](=O)[O-])NCCCN3CCCCCC3=O

Isomeric SMILES

CC1=CC(=NC(=N1)C2=CC(=CC=C2)[N+](=O)[O-])NCCCN3CCCCCC3=O

InChI

InChI=1S/C20H25N5O3/c1-15-13-18(21-10-6-12-24-11-4-2-3-9-19(24)26)23-20(22-15)16-7-5-8-17(14-16)25(27)28/h5,7-8,13-14H,2-4,6,9-12H2,1H3,(H,21,22,23)