2-[[4-[2-(2-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]methyl]phthalazin-1-one

Systemtic Name: 2-[[4-[2-(2-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]methyl]phthalazin-1-one Openeye Name: 2-[[4-[2-(2-methyl-1-piperidyl)-2-oxo-ethyl]piperazin-1-yl]methyl]phthalazin-1-one CAS Name: 2-[[4-[2-(2-methyl-1-piperidinyl)-2-oxoethyl]-1-piperazinyl]methyl]-1-phthalazinone IUPAC Name: 2-[[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]methyl]phthalazin-1-one Traditional Name: 2-[[4-[2-keto-2-(2-methylpiperidino)ethyl]piperazino]methyl]phthalazin-1-one Formula: C21H29N5O2 MolecularWeight: 383.48726

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)CN2CCN(CC2)CN3C(=O)C4=CC=CC=C4C=N3

Isomeric SMILES

CC1CCCCN1C(=O)CN2CCN(CC2)CN3C(=O)C4=CC=CC=C4C=N3

InChI

InChI=1S/C21H29N5O2/c1-17-6-4-5-9-25(17)20(27)15-23-10-12-24(13-11-23)16-26-21(28)19-8-3-2-7-18(19)14-22-26/h2-3,7-8,14,17H,4-6,9-13,15-16H2,1H3