4-[4-(azepan-1-yl)-3-iodanyl-phenyl]-2H-phthalazin-1-one

Systemtic Name: 4-[4-(azepan-1-yl)-3-iodanyl-phenyl]-2H-phthalazin-1-one Openeye Name: 4-[4-(azepan-1-yl)-3-iodo-phenyl]-2H-phthalazin-1-one CAS Name: 4-[4-(1-azepanyl)-3-iodophenyl]-2H-phthalazin-1-one IUPAC Name: 4-[4-(azepan-1-yl)-3-iodophenyl]-2H-phthalazin-1-one Traditional Name: 4-[4-(azepan-1-yl)-3-iodo-phenyl]-2H-phthalazin-1-one Formula: C20H20IN3O MolecularWeight: 445.29677

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)C3=NNC(=O)C4=CC=CC=C43)I

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)C3=NNC(=O)C4=CC=CC=C43)I

InChI

InChI=1S/C20H20IN3O/c21-17-13-14(9-10-18(17)24-11-5-1-2-6-12-24)19-15-7-3-4-8-16(15)20(25)23-22-19/h3-4,7-10,13H,1-2,5-6,11-12H2,(H,23,25)