3-methyl-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-methyl-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[[4-(1,1-dimethylpropyl)cyclohexylidene]amino]-3-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: 3-methyl-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-methyl-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]-4-oxophthalazine-1-carboxamide Traditional Name: N-[(4-tert-amylcyclohexylidene)amino]-4-keto-3-methyl-phthalazine-1-carboxamide Formula: C21H28N4O2 MolecularWeight: 368.47262

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1CCC(=NNC(=O)C2=NN(C(=O)C3=CC=CC=C32)C)CC1

Isomeric SMILES

CCC(C)(C)C1CCC(=NNC(=O)C2=NN(C(=O)C3=CC=CC=C32)C)CC1

InChI

InChI=1S/C21H28N4O2/c1-5-21(2,3)14-10-12-15(13-11-14)22-23-19(26)18-16-8-6-7-9-17(16)20(27)25(4)24-18/h6-9,14H,5,10-13H2,1-4H3,(H,23,26)