N-[2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide

Systemtic Name: N-[2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-[2-(3-fluoroanilino)-2-oxo-ethyl]-N-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-N-[2-(3-fluoroanilino)-2-keto-ethyl]-4-keto-N-methyl-phthalazine-1-carboxamide Formula: C25H21FN4O3 MolecularWeight: 444.457643

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC(=CC=C1)F)C(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

Isomeric SMILES

CN(CC(=O)NC1=CC(=CC=C1)F)C(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

InChI

InChI=1S/C25H21FN4O3/c1-29(16-22(31)27-19-11-7-10-18(26)14-19)25(33)23-20-12-5-6-13-21(20)24(32)30(28-23)15-17-8-3-2-4-9-17/h2-14H,15-16H2,1H3,(H,27,31)