2-[2-(4-ethylpiperazin-1-yl)-2-oxidanylidene-ethyl]-4-(pyridin-3-ylmethyl)phthalazin-1-one

Systemtic Name: 2-[2-(4-ethylpiperazin-1-yl)-2-oxidanylidene-ethyl]-4-(pyridin-3-ylmethyl)phthalazin-1-one Openeye Name: 2-[2-(4-ethylpiperazin-1-yl)-2-oxo-ethyl]-4-(3-pyridylmethyl)phthalazin-1-one CAS Name: 2-[2-(4-ethyl-1-piperazinyl)-2-oxoethyl]-4-(3-pyridinylmethyl)-1-phthalazinone IUPAC Name: 2-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-4-(pyridin-3-ylmethyl)phthalazin-1-one Traditional Name: 2-[2-(4-ethylpiperazino)-2-keto-ethyl]-4-(3-pyridylmethyl)phthalazin-1-one Formula: C22H25N5O2 MolecularWeight: 391.4662

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)CC4=CN=CC=C4

Isomeric SMILES

CCN1CCN(CC1)C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)CC4=CN=CC=C4

InChI

InChI=1S/C22H25N5O2/c1-2-25-10-12-26(13-11-25)21(28)16-27-22(29)19-8-4-3-7-18(19)20(24-27)14-17-6-5-9-23-15-17/h3-9,15H,2,10-14,16H2,1H3