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

Systemtic Name: 3-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[4-(1,1-dimethylpropyl)cyclohexyl]-3-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: 3-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]-4-oxophthalazine-1-carboxamide Traditional Name: N-(4-tert-amylcyclohexyl)-4-keto-3-methyl-phthalazine-1-carboxamide Formula: C21H29N3O2 MolecularWeight: 355.47386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O2/c1-5-21(2,3)14-10-12-15(13-11-14)22-19(25)18-16-8-6-7-9-17(16)20(26)24(4)23-18/h6-9,14-15H,5,10-13H2,1-4H3,(H,22,25)