N-(3-iodanyl-4-methyl-phenyl)-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide

Systemtic Name: N-(3-iodanyl-4-methyl-phenyl)-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-(3-iodo-4-methyl-phenyl)-4-oxo-phthalazine-1-carboxamide CAS Name: N-(3-iodo-4-methylphenyl)-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-(3-iodo-4-methylphenyl)-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-N-(3-iodo-4-methyl-phenyl)-4-keto-phthalazine-1-carboxamide Formula: C23H18IN3O2 MolecularWeight: 495.31239

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4)I

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4)I

InChI

InChI=1S/C23H18IN3O2/c1-15-11-12-17(13-20(15)24)25-22(28)21-18-9-5-6-10-19(18)23(29)27(26-21)14-16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H,25,28)