N-[5-tert-butyl-2-(4-fluorophenyl)pyrazol-3-yl]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide

Systemtic Name: N-[5-tert-butyl-2-(4-fluorophenyl)pyrazol-3-yl]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide Openeye Name: N-[5-tert-butyl-2-(4-fluorophenyl)pyrazol-3-yl]-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: N-[5-tert-butyl-2-(4-fluorophenyl)-3-pyrazolyl]-4-oxo-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-[5-tert-butyl-2-(4-fluorophenyl)pyrazol-3-yl]-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: N-[5-tert-butyl-2-(4-fluorophenyl)pyrazol-3-yl]-4-keto-3-propyl-phthalazine-1-carboxamide Formula: C25H26FN5O2 MolecularWeight: 447.504643

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC(=NN3C4=CC=C(C=C4)F)C(C)(C)C

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC(=NN3C4=CC=C(C=C4)F)C(C)(C)C

InChI

InChI=1S/C25H26FN5O2/c1-5-14-30-24(33)19-9-7-6-8-18(19)22(29-30)23(32)27-21-15-20(25(2,3)4)28-31(21)17-12-10-16(26)11-13-17/h6-13,15H,5,14H2,1-4H3,(H,27,32)