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

Systemtic Name: 4-[4-(azepan-1-yl)-2-nitro-phenyl]-2H-phthalazin-1-one Openeye Name: 4-[4-(azepan-1-yl)-2-nitro-phenyl]-2H-phthalazin-1-one CAS Name: 4-[4-(1-azepanyl)-2-nitrophenyl]-2H-phthalazin-1-one IUPAC Name: 4-[4-(azepan-1-yl)-2-nitrophenyl]-2H-phthalazin-1-one Traditional Name: 4-[4-(azepan-1-yl)-2-nitro-phenyl]-2H-phthalazin-1-one Formula: C20H20N4O3 MolecularWeight: 364.3978

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC(=C(C=C2)C3=NNC(=O)C4=CC=CC=C43)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=CC(=C(C=C2)C3=NNC(=O)C4=CC=CC=C43)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O3/c25-20-16-8-4-3-7-15(16)19(21-22-20)17-10-9-14(13-18(17)24(26)27)23-11-5-1-2-6-12-23/h3-4,7-10,13H,1-2,5-6,11-12H2,(H,22,25)