2-(8-imidazol-1-yloctyl)-4-phenyl-phthalazin-1-one

Systemtic Name: 2-(8-imidazol-1-yloctyl)-4-phenyl-phthalazin-1-one Openeye Name: 2-(8-imidazol-1-yloctyl)-4-phenyl-phthalazin-1-one CAS Name: 2-[8-(1-imidazolyl)octyl]-4-phenyl-1-phthalazinone IUPAC Name: 2-(8-imidazol-1-yloctyl)-4-phenylphthalazin-1-one Traditional Name: 2-(8-imidazol-1-yloctyl)-4-phenyl-phthalazin-1-one Formula: C25H28N4O MolecularWeight: 400.51602

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CCCCCCCCN4C=CN=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CCCCCCCCN4C=CN=C4

InChI

InChI=1S/C25H28N4O/c30-25-23-15-9-8-14-22(23)24(21-12-6-5-7-13-21)27-29(25)18-11-4-2-1-3-10-17-28-19-16-26-20-28/h5-9,12-16,19-20H,1-4,10-11,17-18H2