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

Systemtic Name: N-[(R)-(4-fluorophenyl)-thiophen-2-yl-methyl]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[(R)-(4-fluorophenyl)-(2-thienyl)methyl]-3-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-3-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-3-methyl-4-oxophthalazine-1-carboxamide Traditional Name: N-[(R)-(4-fluorophenyl)-(2-thienyl)methyl]-4-keto-3-methyl-phthalazine-1-carboxamide Formula: C21H16FN3O2S MolecularWeight: 393.434043

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC(C3=CC=C(C=C3)F)C4=CC=CS4

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N[C@H](C3=CC=C(C=C3)F)C4=CC=CS4

InChI

InChI=1S/C21H16FN3O2S/c1-25-21(27)16-6-3-2-5-15(16)19(24-25)20(26)23-18(17-7-4-12-28-17)13-8-10-14(22)11-9-13/h2-12,18H,1H3,(H,23,26)/t18-/m1/s1