4-[[2-[[(2R)-3,3-dimethylbutan-2-yl]amino]-3,4-bis(oxidanylidene)cyclobuten-1-yl]amino]-3-propyl-benzenecarbonitrile

Systemtic Name: 4-[[2-[[(2R)-3,3-dimethylbutan-2-yl]amino]-3,4-bis(oxidanylidene)cyclobuten-1-yl]amino]-3-propyl-benzenecarbonitrile Openeye Name: 4-[[3,4-dioxo-2-[[(1R)-1,2,2-trimethylpropyl]amino]cyclobuten-1-yl]amino]-3-propyl-benzonitrile CAS Name: 4-[[2-[[(2R)-3,3-dimethylbutan-2-yl]amino]-3,4-dioxo-1-cyclobutenyl]amino]-3-propylbenzonitrile IUPAC Name: 4-[[2-[[(2R)-3,3-dimethylbutan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]-3-propylbenzonitrile Traditional Name: 4-[[3,4-diketo-2-[[(1R)-1,2,2-trimethylpropyl]amino]cyclobuten-1-yl]amino]-3-propyl-benzonitrile Formula: C20H25N3O2 MolecularWeight: 339.4314

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)C#N)NC2=C(C(=O)C2=O)NC(C)C(C)(C)C

Isomeric SMILES

CCCC1=C(C=CC(=C1)C#N)NC2=C(C(=O)C2=O)N[C@H](C)C(C)(C)C

InChI

InChI=1S/C20H25N3O2/c1-6-7-14-10-13(11-21)8-9-15(14)23-17-16(18(24)19(17)25)22-12(2)20(3,4)5/h8-10,12,22-23H,6-7H2,1-5H3/t12-/m1/s1