4-oxidanylidene-3-pentyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]phthalazine-1-carboxamide

Systemtic Name: 4-oxidanylidene-3-pentyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]phthalazine-1-carboxamide Openeye Name: 4-oxo-3-pentyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]phthalazine-1-carboxamide CAS Name: 4-oxo-3-pentyl-N-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]-1-phthalazinecarboxamide IUPAC Name: 4-oxo-3-pentyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]phthalazine-1-carboxamide Traditional Name: 3-amyl-4-keto-N-[3-[4-(2-pyrimidyl)piperazino]propyl]phthalazine-1-carboxamide Formula: C25H33N7O2 MolecularWeight: 463.57522

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCCCN3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCCCN3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C25H33N7O2/c1-2-3-6-15-32-24(34)21-10-5-4-9-20(21)22(29-32)23(33)26-13-8-14-30-16-18-31(19-17-30)25-27-11-7-12-28-25/h4-5,7,9-12H,2-3,6,8,13-19H2,1H3,(H,26,33)