N-[2-(azepan-1-yl)ethyl]-4-oxidanylidene-3H-phthalazine-1-carboxamide

Systemtic Name: N-[2-(azepan-1-yl)ethyl]-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-[2-(azepan-1-yl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[2-(1-azepanyl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-[2-(azepan-1-yl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: N-[2-(azepan-1-yl)ethyl]-4-keto-3H-phthalazine-1-carboxamide Formula: C17H22N4O2 MolecularWeight: 314.38218

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCNC(=O)C2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

C1CCCN(CC1)CCNC(=O)C2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C17H22N4O2/c22-16-14-8-4-3-7-13(14)15(19-20-16)17(23)18-9-12-21-10-5-1-2-6-11-21/h3-4,7-8H,1-2,5-6,9-12H2,(H,18,23)(H,20,22)