3-butyl-4-oxidanylidene-N-[(E)-(3,3,5-trimethylcyclohexylidene)amino]phthalazine-1-carboxamide

Systemtic Name: 3-butyl-4-oxidanylidene-N-[(E)-(3,3,5-trimethylcyclohexylidene)amino]phthalazine-1-carboxamide Openeye Name: 3-butyl-4-oxo-N-[(E)-(3,3,5-trimethylcyclohexylidene)amino]phthalazine-1-carboxamide CAS Name: 3-butyl-4-oxo-N-[(E)-(3,3,5-trimethylcyclohexylidene)amino]-1-phthalazinecarboxamide IUPAC Name: 3-butyl-4-oxo-N-[(E)-(3,3,5-trimethylcyclohexylidene)amino]phthalazine-1-carboxamide Traditional Name: 3-butyl-4-keto-N-[(E)-(3,3,5-trimethylcyclohexylidene)amino]phthalazine-1-carboxamide Formula: C22H30N4O2 MolecularWeight: 382.4992

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NN=C3CC(CC(C3)(C)C)C

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N/N=C/3\CC(CC(C3)(C)C)C

InChI

InChI=1S/C22H30N4O2/c1-5-6-11-26-21(28)18-10-8-7-9-17(18)19(25-26)20(27)24-23-16-12-15(2)13-22(3,4)14-16/h7-10,15H,5-6,11-14H2,1-4H3,(H,24,27)/b23-16+