1-[4-[(3-chloranyl-4-cyano-phenyl)amino]pyrrolidin-2-yl]carbonylpyrrolidine-2-carbonitrile hydrochloride

Systemtic Name: 1-[4-[(3-chloranyl-4-cyano-phenyl)amino]pyrrolidin-2-yl]carbonylpyrrolidine-2-carbonitrile hydrochloride Openeye Name: 1-[4-(3-chloro-4-cyano-anilino)pyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile hydrochloride CAS Name: 1-[[4-(3-chloro-4-cyanoanilino)-2-pyrrolidinyl]-oxomethyl]-2-pyrrolidinecarbonitrile hydrochloride IUPAC Name: 1-[4-(3-chloro-4-cyanoanilino)pyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile hydrochloride Traditional Name: 1-[4-(3-chloro-4-cyano-anilino)prolyl]pyrrolidine-2-carbonitrile hydrochloride Formula: C17H19Cl2N5O MolecularWeight: 380.27166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClN5O.ClH/c18-15-6-12(4-3-11(15)8-19)22-13-7-16(21-10-13)17(24)23-5-1-2-14(23)9-20;/h3-4,6,13-14,16,21-22H,1-2,5,7,10H2;1H