2-fluoranyl-6-[4-(4-oxidanylidene-3-propan-2-yl-phthalazin-1-yl)carbonylpiperazin-1-yl]benzenecarbonitrile

Systemtic Name: 2-fluoranyl-6-[4-(4-oxidanylidene-3-propan-2-yl-phthalazin-1-yl)carbonylpiperazin-1-yl]benzenecarbonitrile Openeye Name: 2-fluoro-6-[4-(3-isopropyl-4-oxo-phthalazine-1-carbonyl)piperazin-1-yl]benzonitrile CAS Name: 2-fluoro-6-[4-[oxo-(4-oxo-3-propan-2-yl-1-phthalazinyl)methyl]-1-piperazinyl]benzonitrile IUPAC Name: 2-fluoro-6-[4-(4-oxo-3-propan-2-ylphthalazine-1-carbonyl)piperazin-1-yl]benzonitrile Traditional Name: 2-fluoro-6-[4-(3-isopropyl-4-keto-phthalazine-1-carbonyl)piperazino]benzonitrile Formula: C23H22FN5O2 MolecularWeight: 419.451483

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)C4=C(C(=CC=C4)F)C#N

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)C4=C(C(=CC=C4)F)C#N

InChI

InChI=1S/C23H22FN5O2/c1-15(2)29-22(30)17-7-4-3-6-16(17)21(26-29)23(31)28-12-10-27(11-13-28)20-9-5-8-19(24)18(20)14-25/h3-9,15H,10-13H2,1-2H3