2-[5-(azepan-1-yl)-2-nitro-phenyl]-4-phenyl-phthalazin-1-one

Systemtic Name: 2-[5-(azepan-1-yl)-2-nitro-phenyl]-4-phenyl-phthalazin-1-one Openeye Name: 2-[5-(azepan-1-yl)-2-nitro-phenyl]-4-phenyl-phthalazin-1-one CAS Name: 2-[5-(1-azepanyl)-2-nitrophenyl]-4-phenyl-1-phthalazinone IUPAC Name: 2-[5-(azepan-1-yl)-2-nitrophenyl]-4-phenylphthalazin-1-one Traditional Name: 2-[5-(azepan-1-yl)-2-nitro-phenyl]-4-phenyl-phthalazin-1-one Formula: C26H24N4O3 MolecularWeight: 440.49376

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])N3C(=O)C4=CC=CC=C4C(=N3)C5=CC=CC=C5

Isomeric SMILES

C1CCCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])N3C(=O)C4=CC=CC=C4C(=N3)C5=CC=CC=C5

InChI

InChI=1S/C26H24N4O3/c31-26-22-13-7-6-12-21(22)25(19-10-4-3-5-11-19)27-29(26)24-18-20(14-15-23(24)30(32)33)28-16-8-1-2-9-17-28/h3-7,10-15,18H,1-2,8-9,16-17H2