10-[4-(azepan-1-yl)phenyl]-3-methyl-7-nitro-pyrimido[4,5-b]quinoline-2,4-dione

Systemtic Name: 10-[4-(azepan-1-yl)phenyl]-3-methyl-7-nitro-pyrimido[4,5-b]quinoline-2,4-dione Openeye Name: 10-[4-(azepan-1-yl)phenyl]-3-methyl-7-nitro-pyrimido[4,5-b]quinoline-2,4-dione CAS Name: 10-[4-(1-azepanyl)phenyl]-3-methyl-7-nitropyrimido[4,5-b]quinoline-2,4-dione IUPAC Name: 10-[4-(azepan-1-yl)phenyl]-3-methyl-7-nitropyrimido[4,5-b]quinoline-2,4-dione Traditional Name: 10-[4-(azepan-1-yl)phenyl]-3-methyl-7-nitro-pyrimido[4,5-b]quinoline-2,4-quinone Formula: C24H23N5O4 MolecularWeight: 445.47052

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC3=C(C=CC(=C3)[N+](=O)[O-])N(C2=NC1=O)C4=CC=C(C=C4)N5CCCCCC5

Isomeric SMILES

CN1C(=O)C2=CC3=C(C=CC(=C3)[N+](=O)[O-])N(C2=NC1=O)C4=CC=C(C=C4)N5CCCCCC5

InChI

InChI=1S/C24H23N5O4/c1-26-23(30)20-15-16-14-19(29(32)33)10-11-21(16)28(22(20)25-24(26)31)18-8-6-17(7-9-18)27-12-4-2-3-5-13-27/h6-11,14-15H,2-5,12-13H2,1H3