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

Systemtic Name: 2-[2-(4-cyclohexylpiperazin-1-yl)-2-oxidanylidene-ethyl]-4-(pyridin-3-ylmethyl)phthalazin-1-one Openeye Name: 2-[2-(4-cyclohexylpiperazin-1-yl)-2-oxo-ethyl]-4-(3-pyridylmethyl)phthalazin-1-one CAS Name: 2-[2-(4-cyclohexyl-1-piperazinyl)-2-oxoethyl]-4-(3-pyridinylmethyl)-1-phthalazinone IUPAC Name: 2-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-4-(pyridin-3-ylmethyl)phthalazin-1-one Traditional Name: 2-[2-(4-cyclohexylpiperazino)-2-keto-ethyl]-4-(3-pyridylmethyl)phthalazin-1-one Formula: C26H31N5O2 MolecularWeight: 445.55664

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CCN(CC2)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)CC5=CN=CC=C5

Isomeric SMILES

C1CCC(CC1)N2CCN(CC2)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)CC5=CN=CC=C5

InChI

InChI=1S/C26H31N5O2/c32-25(30-15-13-29(14-16-30)21-8-2-1-3-9-21)19-31-26(33)23-11-5-4-10-22(23)24(28-31)17-20-7-6-12-27-18-20/h4-7,10-12,18,21H,1-3,8-9,13-17,19H2