N-[1-(4-tert-butylphenyl)ethylideneamino]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide

Systemtic Name: N-[1-(4-tert-butylphenyl)ethylideneamino]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-[1-(4-tert-butylphenyl)ethylideneamino]-4-oxo-phthalazine-1-carboxamide CAS Name: N-[1-(4-tert-butylphenyl)ethylideneamino]-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-[1-(4-tert-butylphenyl)ethylideneamino]-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-N-[1-(4-tert-butylphenyl)ethylideneamino]-4-keto-phthalazine-1-carboxamide Formula: C28H28N4O2 MolecularWeight: 452.54752

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=NN(C(=O)C2=CC=CC=C21)CC3=CC=CC=C3)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC(=NNC(=O)C1=NN(C(=O)C2=CC=CC=C21)CC3=CC=CC=C3)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C28H28N4O2/c1-19(21-14-16-22(17-15-21)28(2,3)4)29-30-26(33)25-23-12-8-9-13-24(23)27(34)32(31-25)18-20-10-6-5-7-11-20/h5-17H,18H2,1-4H3,(H,30,33)