N'-[(2,5-dimethylpyrrol-3-ylidene)methyl]-3-(3-methylbutyl)-4-oxidanylidene-phthalazine-1-carbohydrazide

Systemtic Name: N'-[(2,5-dimethylpyrrol-3-ylidene)methyl]-3-(3-methylbutyl)-4-oxidanylidene-phthalazine-1-carbohydrazide Openeye Name: N'-[(2,5-dimethylpyrrol-3-ylidene)methyl]-3-isopentyl-4-oxo-phthalazine-1-carbohydrazide CAS Name: N'-[(2,5-dimethyl-3-pyrrolylidene)methyl]-3-(3-methylbutyl)-4-oxo-1-phthalazinecarbohydrazide IUPAC Name: N'-[(2,5-dimethylpyrrol-3-ylidene)methyl]-3-(3-methylbutyl)-4-oxophthalazine-1-carbohydrazide Traditional Name: N'-[(2,5-dimethylpyrrol-3-ylidene)methyl]-3-isoamyl-4-keto-phthalazine-1-carbohydrazide Formula: C21H25N5O2 MolecularWeight: 379.4555

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CNNC(=O)C2=NN(C(=O)C3=CC=CC=C32)CCC(C)C)C(=N1)C

Isomeric SMILES

CC1=CC(=CNNC(=O)C2=NN(C(=O)C3=CC=CC=C32)CCC(C)C)C(=N1)C

InChI

InChI=1S/C21H25N5O2/c1-13(2)9-10-26-21(28)18-8-6-5-7-17(18)19(25-26)20(27)24-22-12-16-11-14(3)23-15(16)4/h5-8,11-13,22H,9-10H2,1-4H3,(H,24,27)