N-cyclohexyl-N-[(4-fluorophenyl)methyl]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide

Systemtic Name: N-cyclohexyl-N-[(4-fluorophenyl)methyl]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide Openeye Name: N-cyclohexyl-N-[(4-fluorophenyl)methyl]-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: N-cyclohexyl-N-[(4-fluorophenyl)methyl]-4-oxo-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-cyclohexyl-N-[(4-fluorophenyl)methyl]-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: N-cyclohexyl-N-(4-fluorobenzyl)-4-keto-3-propyl-phthalazine-1-carboxamide Formula: C25H28FN3O2 MolecularWeight: 421.507123

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N(CC3=CC=C(C=C3)F)C4CCCCC4

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N(CC3=CC=C(C=C3)F)C4CCCCC4

InChI

InChI=1S/C25H28FN3O2/c1-2-16-29-24(30)22-11-7-6-10-21(22)23(27-29)25(31)28(20-8-4-3-5-9-20)17-18-12-14-19(26)15-13-18/h6-7,10-15,20H,2-5,8-9,16-17H2,1H3