3-methyl-5-[[[2-(2-methylbutan-2-ylamino)-3,4-bis(oxidanylidene)cyclobuten-1-yl]amino]methyl]benzenecarbonitrile

Systemtic Name: 3-methyl-5-[[[2-(2-methylbutan-2-ylamino)-3,4-bis(oxidanylidene)cyclobuten-1-yl]amino]methyl]benzenecarbonitrile Openeye Name: 3-[[[2-(1,1-dimethylpropylamino)-3,4-dioxo-cyclobuten-1-yl]amino]methyl]-5-methyl-benzonitrile CAS Name: 3-methyl-5-[[[2-(2-methylbutan-2-ylamino)-3,4-dioxo-1-cyclobutenyl]amino]methyl]benzonitrile IUPAC Name: 3-methyl-5-[[[2-(2-methylbutan-2-ylamino)-3,4-dioxocyclobuten-1-yl]amino]methyl]benzonitrile Traditional Name: 3-[[[2-(tert-amylamino)-3,4-diketo-cyclobuten-1-yl]amino]methyl]-5-methyl-benzonitrile Formula: C18H21N3O2 MolecularWeight: 311.37824

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC1=C(C(=O)C1=O)NCC2=CC(=CC(=C2)C)C#N

Isomeric SMILES

CCC(C)(C)NC1=C(C(=O)C1=O)NCC2=CC(=CC(=C2)C)C#N

InChI

InChI=1S/C18H21N3O2/c1-5-18(3,4)21-15-14(16(22)17(15)23)20-10-13-7-11(2)6-12(8-13)9-19/h6-8,20-21H,5,10H2,1-4H3