2-[2-(azocan-1-yl)-2-oxidanylidene-ethyl]phthalazin-1-one

Systemtic Name: 2-[2-(azocan-1-yl)-2-oxidanylidene-ethyl]phthalazin-1-one Openeye Name: 2-[2-(azocan-1-yl)-2-oxo-ethyl]phthalazin-1-one CAS Name: 2-[2-(1-azocanyl)-2-oxoethyl]-1-phthalazinone IUPAC Name: 2-[2-(azocan-1-yl)-2-oxoethyl]phthalazin-1-one Traditional Name: 2-[2-(azocan-1-yl)-2-keto-ethyl]phthalazin-1-one Formula: C17H21N3O2 MolecularWeight: 299.36754

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C(=O)CN2C(=O)C3=CC=CC=C3C=N2

Isomeric SMILES

C1CCCN(CCC1)C(=O)CN2C(=O)C3=CC=CC=C3C=N2

InChI

InChI=1S/C17H21N3O2/c21-16(19-10-6-2-1-3-7-11-19)13-20-17(22)15-9-5-4-8-14(15)12-18-20/h4-5,8-9,12H,1-3,6-7,10-11,13H2