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

Systemtic Name: 2-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]-4-(pyridin-4-ylmethyl)phthalazin-1-one Openeye Name: 2-[2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]-4-(4-pyridylmethyl)phthalazin-1-one CAS Name: 2-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-4-(pyridin-4-ylmethyl)-1-phthalazinone IUPAC Name: 2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-(pyridin-4-ylmethyl)phthalazin-1-one Traditional Name: 2-[2-keto-2-(4-methylpiperazino)ethyl]-4-(4-pyridylmethyl)phthalazin-1-one Formula: C21H23N5O2 MolecularWeight: 377.43962

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)CC4=CC=NC=C4

Isomeric SMILES

CN1CCN(CC1)C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)CC4=CC=NC=C4

InChI

InChI=1S/C21H23N5O2/c1-24-10-12-25(13-11-24)20(27)15-26-21(28)18-5-3-2-4-17(18)19(23-26)14-16-6-8-22-9-7-16/h2-9H,10-15H2,1H3