4-[[5-(2-cyanopyrrolidin-1-yl)carbonylpyrrolidin-3-yl]amino]benzene-1,2-dicarbonitrile hydrochloride

Systemtic Name: 4-[[5-(2-cyanopyrrolidin-1-yl)carbonylpyrrolidin-3-yl]amino]benzene-1,2-dicarbonitrile hydrochloride Openeye Name: 4-[[5-(2-cyanopyrrolidine-1-carbonyl)pyrrolidin-3-yl]amino]phthalonitrile hydrochloride CAS Name: 4-[[5-[(2-cyano-1-pyrrolidinyl)-oxomethyl]-3-pyrrolidinyl]amino]benzene-1,2-dicarbonitrile hydrochloride IUPAC Name: 4-[[5-(2-cyanopyrrolidine-1-carbonyl)pyrrolidin-3-yl]amino]benzene-1,2-dicarbonitrile hydrochloride Traditional Name: 4-[[5-(2-cyanopyrrolidine-1-carbonyl)pyrrolidin-3-yl]amino]phthalonitrile hydrochloride Formula: C18H19ClN6O MolecularWeight: 370.83606

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2CC(CN2)NC3=CC(=C(C=C3)C#N)C#N)C#N.Cl

Isomeric SMILES

C1CC(N(C1)C(=O)C2CC(CN2)NC3=CC(=C(C=C3)C#N)C#N)C#N.Cl

InChI

InChI=1S/C18H18N6O.ClH/c19-8-12-3-4-14(6-13(12)9-20)23-15-7-17(22-11-15)18(25)24-5-1-2-16(24)10-21;/h3-4,6,15-17,22-23H,1-2,5,7,11H2;1H