4-azanyl-3-[2-(2-diethylaminoethyl)-3-oxidanylidene-1H-isoindol-1-yl]benzenecarbonitrile hydrochloride

Systemtic Name: 4-azanyl-3-[2-(2-diethylaminoethyl)-3-oxidanylidene-1H-isoindol-1-yl]benzenecarbonitrile hydrochloride Openeye Name: 4-amino-3-[2-(2-diethylaminoethyl)-3-oxo-isoindolin-1-yl]benzonitrile hydrochloride CAS Name: 4-amino-3-[2-(2-diethylaminoethyl)-3-oxo-1H-isoindol-1-yl]benzonitrile hydrochloride IUPAC Name: 4-amino-3-[2-(2-diethylaminoethyl)-3-oxo-1H-isoindol-1-yl]benzonitrile hydrochloride Traditional Name: 4-amino-3-[2-(2-diethylaminoethyl)-3-keto-isoindolin-1-yl]benzonitrile hydrochloride Formula: C21H25ClN4O MolecularWeight: 384.9024

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN1C(C2=CC=CC=C2C1=O)C3=C(C=CC(=C3)C#N)N.Cl

Isomeric SMILES

CCN(CC)CCN1C(C2=CC=CC=C2C1=O)C3=C(C=CC(=C3)C#N)N.Cl

InChI

InChI=1S/C21H24N4O.ClH/c1-3-24(4-2)11-12-25-20(16-7-5-6-8-17(16)21(25)26)18-13-15(14-22)9-10-19(18)23;/h5-10,13,20H,3-4,11-12,23H2,1-2H3;1H