N,N-diethyl-2-[4-[2-(1-oxidanylidenephthalazin-2-yl)ethanoyl]-1,4-diazepan-1-ium-1-yl]ethanamide

Systemtic Name: N,N-diethyl-2-[4-[2-(1-oxidanylidenephthalazin-2-yl)ethanoyl]-1,4-diazepan-1-ium-1-yl]ethanamide Openeye Name: N,N-diethyl-2-[4-[2-(1-oxophthalazin-2-yl)acetyl]-1,4-diazepan-1-ium-1-yl]acetamide CAS Name: N,N-diethyl-2-[4-[1-oxo-2-(1-oxo-2-phthalazinyl)ethyl]-1,4-diazepan-1-ium-1-yl]acetamide IUPAC Name: N,N-diethyl-2-[4-[2-(1-oxophthalazin-2-yl)acetyl]-1,4-diazepan-1-ium-1-yl]acetamide Traditional Name: N,N-diethyl-2-[4-[2-(1-ketophthalazin-2-yl)acetyl]-1,4-diazepan-1-ium-1-yl]acetamide Formula: C21H30N5O3+ MolecularWeight: 400.4946

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C[NH+]1CCCN(CC1)C(=O)CN2C(=O)C3=CC=CC=C3C=N2

Isomeric SMILES

CCN(CC)C(=O)C[NH+]1CCCN(CC1)C(=O)CN2C(=O)C3=CC=CC=C3C=N2

InChI

InChI=1S/C21H29N5O3/c1-3-24(4-2)19(27)15-23-10-7-11-25(13-12-23)20(28)16-26-21(29)18-9-6-5-8-17(18)14-22-26/h5-6,8-9,14H,3-4,7,10-13,15-16H2,1-2H3/p+1