N'-[4-[(4-tert-butylphenoxy)methyl]phenyl]carbonyl-1-oxidanylidene-2H-isoquinoline-3-carbohydrazide

Systemtic Name: N'-[4-[(4-tert-butylphenoxy)methyl]phenyl]carbonyl-1-oxidanylidene-2H-isoquinoline-3-carbohydrazide Openeye Name: N'-[4-[(4-tert-butylphenoxy)methyl]benzoyl]-1-oxo-2H-isoquinoline-3-carbohydrazide CAS Name: N'-[[4-[(4-tert-butylphenoxy)methyl]phenyl]-oxomethyl]-1-oxo-2H-isoquinoline-3-carbohydrazide IUPAC Name: N'-[4-[(4-tert-butylphenoxy)methyl]benzoyl]-1-oxo-2H-isoquinoline-3-carbohydrazide Traditional Name: N'-[4-[(4-tert-butylphenoxy)methyl]benzoyl]-1-keto-2H-isoquinoline-3-carbohydrazide Formula: C28H27N3O4 MolecularWeight: 469.53168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCC2=CC=C(C=C2)C(=O)NNC(=O)C3=CC4=CC=CC=C4C(=O)N3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCC2=CC=C(C=C2)C(=O)NNC(=O)C3=CC4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C28H27N3O4/c1-28(2,3)21-12-14-22(15-13-21)35-17-18-8-10-19(11-9-18)25(32)30-31-27(34)24-16-20-6-4-5-7-23(20)26(33)29-24/h4-16H,17H2,1-3H3,(H,29,33)(H,30,32)(H,31,34)