N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[(S)-(4-fluorophenyl)-(1-methyl-2-imidazolyl)methyl]-3-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-4-oxophthalazine-1-carboxamide Traditional Name: N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-keto-3-methyl-phthalazine-1-carboxamide Formula: C21H18FN5O2 MolecularWeight: 391.398323

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C(C2=CC=C(C=C2)F)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)C

Isomeric SMILES

CN1C=CN=C1[C@H](C2=CC=C(C=C2)F)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)C

InChI

InChI=1S/C21H18FN5O2/c1-26-12-11-23-19(26)17(13-7-9-14(22)10-8-13)24-20(28)18-15-5-3-4-6-16(15)21(29)27(2)25-18/h3-12,17H,1-2H3,(H,24,28)/t17-/m0/s1