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

Systemtic Name: 3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-[2-(azepan-1-yl)-2-oxo-ethyl]-N-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: 3-[2-(1-azepanyl)-2-oxoethyl]-N-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-[2-(azepan-1-yl)-2-oxoethyl]-N-methyl-4-oxophthalazine-1-carboxamide Traditional Name: 3-[2-(azepan-1-yl)-2-keto-ethyl]-4-keto-N-methyl-phthalazine-1-carboxamide Formula: C18H22N4O3 MolecularWeight: 342.39228

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)CC(=O)N3CCCCCC3

Isomeric SMILES

CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)CC(=O)N3CCCCCC3

InChI

InChI=1S/C18H22N4O3/c1-19-17(24)16-13-8-4-5-9-14(13)18(25)22(20-16)12-15(23)21-10-6-2-3-7-11-21/h4-5,8-9H,2-3,6-7,10-12H2,1H3,(H,19,24)