N-[3-[5-azanyl-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxamide

Systemtic Name: N-[3-[5-azanyl-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxamide Openeye Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-3-isopropyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)-3-pyrazolyl]propyl]-4-oxo-3-propan-2-yl-1-phthalazinecarboxamide IUPAC Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide Traditional Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-3-isopropyl-4-keto-phthalazine-1-carboxamide Formula: C25H24FN7O2 MolecularWeight: 473.502163

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCCCC3=NN(C(=C3C#N)N)C4=CC=C(C=C4)F

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCCCC3=NN(C(=C3C#N)N)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H24FN7O2/c1-15(2)32-25(35)19-7-4-3-6-18(19)22(31-32)24(34)29-13-5-8-21-20(14-27)23(28)33(30-21)17-11-9-16(26)10-12-17/h3-4,6-7,9-12,15H,5,8,13,28H2,1-2H3,(H,29,34)