4-azanyl-3-[2-[2-(ethylamino)ethyl]-3-oxidanylidene-1H-isoindol-1-yl]benzenecarbonitrile dihydrochloride

Systemtic Name: 4-azanyl-3-[2-[2-(ethylamino)ethyl]-3-oxidanylidene-1H-isoindol-1-yl]benzenecarbonitrile dihydrochloride Openeye Name: 4-amino-3-[2-[2-(ethylamino)ethyl]-3-oxo-isoindolin-1-yl]benzonitrile dihydrochloride CAS Name: 4-amino-3-[2-[2-(ethylamino)ethyl]-3-oxo-1H-isoindol-1-yl]benzonitrile dihydrochloride IUPAC Name: 4-amino-3-[2-[2-(ethylamino)ethyl]-3-oxo-1H-isoindol-1-yl]benzonitrile dihydrochloride Traditional Name: 4-amino-3-[2-[2-(ethylamino)ethyl]-3-keto-isoindolin-1-yl]benzonitrile dihydrochloride Formula: C19H22Cl2N4O MolecularWeight: 393.31018

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Descriptors Computed from Structure

Canonical SMILES:

CCNCCN1C(C2=CC=CC=C2C1=O)C3=C(C=CC(=C3)C#N)N.Cl.Cl

Isomeric SMILES

CCNCCN1C(C2=CC=CC=C2C1=O)C3=C(C=CC(=C3)C#N)N.Cl.Cl

InChI

InChI=1S/C19H20N4O.2ClH/c1-2-22-9-10-23-18(14-5-3-4-6-15(14)19(23)24)16-11-13(12-20)7-8-17(16)21;;/h3-8,11,18,22H,2,9-10,21H2,1H3;2*1H