3-[2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-[2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-[2-[[4-(1,1-dimethylpropyl)cyclohexyl]amino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-[2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-[2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-2-oxoethyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-[2-[(4-tert-amylcyclohexyl)amino]-2-keto-ethyl]-4-keto-phthalazine-1-carboxamide Formula: C22H30N4O3 MolecularWeight: 398.4986

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1CCC(CC1)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)N

Isomeric SMILES

CCC(C)(C)C1CCC(CC1)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)N

InChI

InChI=1S/C22H30N4O3/c1-4-22(2,3)14-9-11-15(12-10-14)24-18(27)13-26-21(29)17-8-6-5-7-16(17)19(25-26)20(23)28/h5-8,14-15H,4,9-13H2,1-3H3,(H2,23,28)(H,24,27)