2-[1-(6-chloranyl-3-oxidanylidene-1H-isoindol-2-yl)-2,2-dimethyl-propyl]-1-cyano-3-pyridin-3-yl-guanidine

Systemtic Name: 2-[1-(6-chloranyl-3-oxidanylidene-1H-isoindol-2-yl)-2,2-dimethyl-propyl]-1-cyano-3-pyridin-3-yl-guanidine Openeye Name: 2-[1-(5-chloro-1-oxo-isoindolin-2-yl)-2,2-dimethyl-propyl]-1-cyano-3-(3-pyridyl)guanidine CAS Name: 2-[1-(6-chloro-3-oxo-1H-isoindol-2-yl)-2,2-dimethylpropyl]-1-cyano-3-(3-pyridinyl)guanidine IUPAC Name: 2-[1-(6-chloro-3-oxo-1H-isoindol-2-yl)-2,2-dimethylpropyl]-1-cyano-3-pyridin-3-ylguanidine Traditional Name: 2-[1-(5-chloro-1-keto-isoindolin-2-yl)-2,2-dimethyl-propyl]-1-cyano-3-(3-pyridyl)guanidine Formula: C20H21ClN6O MolecularWeight: 396.87334

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(N=C(NC#N)NC1=CN=CC=C1)N2CC3=C(C2=O)C=CC(=C3)Cl

Isomeric SMILES

CC(C)(C)C(/N=C(/NC#N)\NC1=CN=CC=C1)N2CC3=C(C2=O)C=CC(=C3)Cl

InChI

InChI=1S/C20H21ClN6O/c1-20(2,3)18(26-19(24-12-22)25-15-5-4-8-23-10-15)27-11-13-9-14(21)6-7-16(13)17(27)28/h4-10,18H,11H2,1-3H3,(H2,24,25,26)