N-[(R)-(4-ethylphenyl)-(3-fluorophenyl)methyl]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-[(R)-(4-ethylphenyl)-(3-fluorophenyl)methyl]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[(R)-(4-ethylphenyl)-(3-fluorophenyl)methyl]-3-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[(R)-(4-ethylphenyl)-(3-fluorophenyl)methyl]-3-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[(R)-(4-ethylphenyl)-(3-fluorophenyl)methyl]-3-methyl-4-oxophthalazine-1-carboxamide Traditional Name: N-[(R)-(4-ethylphenyl)-(3-fluorophenyl)methyl]-4-keto-3-methyl-phthalazine-1-carboxamide Formula: C25H22FN3O2 MolecularWeight: 415.459483

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C2=CC(=CC=C2)F)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)C

Isomeric SMILES

CCC1=CC=C(C=C1)[C@H](C2=CC(=CC=C2)F)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)C

InChI

InChI=1S/C25H22FN3O2/c1-3-16-11-13-17(14-12-16)22(18-7-6-8-19(26)15-18)27-24(30)23-20-9-4-5-10-21(20)25(31)29(2)28-23/h4-15,22H,3H2,1-2H3,(H,27,30)/t22-/m1/s1