N-[2-(azepan-1-yl)-5-(4-oxidanylidene-3H-phthalazin-1-yl)phenyl]ethanamide

Systemtic Name: N-[2-(azepan-1-yl)-5-(4-oxidanylidene-3H-phthalazin-1-yl)phenyl]ethanamide Openeye Name: N-[2-(azepan-1-yl)-5-(4-oxo-3H-phthalazin-1-yl)phenyl]acetamide CAS Name: N-[2-(1-azepanyl)-5-(4-oxo-3H-phthalazin-1-yl)phenyl]acetamide IUPAC Name: N-[2-(azepan-1-yl)-5-(4-oxo-3H-phthalazin-1-yl)phenyl]acetamide Traditional Name: N-[2-(azepan-1-yl)-5-(4-keto-3H-phthalazin-1-yl)phenyl]acetamide Formula: C22H24N4O2 MolecularWeight: 376.45156

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)C2=NNC(=O)C3=CC=CC=C32)N4CCCCCC4

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)C2=NNC(=O)C3=CC=CC=C32)N4CCCCCC4

InChI

InChI=1S/C22H24N4O2/c1-15(27)23-19-14-16(10-11-20(19)26-12-6-2-3-7-13-26)21-17-8-4-5-9-18(17)22(28)25-24-21/h4-5,8-11,14H,2-3,6-7,12-13H2,1H3,(H,23,27)(H,25,28)