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

Systemtic Name: 2-[2-oxidanylidene-2-(4-propylpiperazin-1-yl)ethyl]-4-(pyridin-3-ylmethyl)phthalazin-1-one Openeye Name: 2-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-4-(3-pyridylmethyl)phthalazin-1-one CAS Name: 2-[2-oxo-2-(4-propyl-1-piperazinyl)ethyl]-4-(3-pyridinylmethyl)-1-phthalazinone IUPAC Name: 2-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-4-(pyridin-3-ylmethyl)phthalazin-1-one Traditional Name: 2-[2-keto-2-(4-propylpiperazino)ethyl]-4-(3-pyridylmethyl)phthalazin-1-one Formula: C23H27N5O2 MolecularWeight: 405.49278

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCN(CC1)C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)CC4=CN=CC=C4

Isomeric SMILES

CCCN1CCN(CC1)C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)CC4=CN=CC=C4

InChI

InChI=1S/C23H27N5O2/c1-2-10-26-11-13-27(14-12-26)22(29)17-28-23(30)20-8-4-3-7-19(20)21(25-28)15-18-6-5-9-24-16-18/h3-9,16H,2,10-15,17H2,1H3