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

Systemtic Name: 4-[4-(3-azanylazepan-1-yl)phenyl]-2H-phthalazin-1-one Openeye Name: 4-[4-(3-aminoazepan-1-yl)phenyl]-2H-phthalazin-1-one CAS Name: 4-[4-(3-amino-1-azepanyl)phenyl]-2H-phthalazin-1-one IUPAC Name: 4-[4-(3-aminoazepan-1-yl)phenyl]-2H-phthalazin-1-one Traditional Name: 4-[4-(3-aminoazepan-1-yl)phenyl]-2H-phthalazin-1-one Formula: C20H22N4O MolecularWeight: 334.41488

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC(C1)N)C2=CC=C(C=C2)C3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

C1CCN(CC(C1)N)C2=CC=C(C=C2)C3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C20H22N4O/c21-15-5-3-4-12-24(13-15)16-10-8-14(9-11-16)19-17-6-1-2-7-18(17)20(25)23-22-19/h1-2,6-11,15H,3-5,12-13,21H2,(H,23,25)