N'-(4-tert-butylphenyl)carbonyl-1-oxidanylidene-2H-isoquinoline-3-carbohydrazide

Systemtic Name: N'-(4-tert-butylphenyl)carbonyl-1-oxidanylidene-2H-isoquinoline-3-carbohydrazide Openeye Name: N'-(4-tert-butylbenzoyl)-1-oxo-2H-isoquinoline-3-carbohydrazide CAS Name: N'-[(4-tert-butylphenyl)-oxomethyl]-1-oxo-2H-isoquinoline-3-carbohydrazide IUPAC Name: N'-(4-tert-butylbenzoyl)-1-oxo-2H-isoquinoline-3-carbohydrazide Traditional Name: N'-(4-tert-butylbenzoyl)-1-keto-2H-isoquinoline-3-carbohydrazide Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NNC(=O)C2=CC3=CC=CC=C3C(=O)N2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NNC(=O)C2=CC3=CC=CC=C3C(=O)N2

InChI

InChI=1S/C21H21N3O3/c1-21(2,3)15-10-8-13(9-11-15)18(25)23-24-20(27)17-12-14-6-4-5-7-16(14)19(26)22-17/h4-12H,1-3H3,(H,22,26)(H,23,25)(H,24,27)