3-[4-(3-methyl-4-pyrrolidin-1-ylcarbonyl-phenyl)but-3-yn-2-ylamino]benzenecarboximidamide hydrochloride

Systemtic Name: 3-[4-(3-methyl-4-pyrrolidin-1-ylcarbonyl-phenyl)but-3-yn-2-ylamino]benzenecarboximidamide hydrochloride Openeye Name: 3-[[1-methyl-3-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]prop-2-ynyl]amino]benzamidine hydrochloride CAS Name: 3-[4-[3-methyl-4-[oxo(1-pyrrolidinyl)methyl]phenyl]but-3-yn-2-ylamino]benzenecarboximidamide hydrochloride IUPAC Name: 3-[4-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]but-3-yn-2-ylamino]benzenecarboximidamide hydrochloride Traditional Name: 3-[[1-methyl-3-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]prop-2-ynyl]amino]benzamidine hydrochloride Formula: C23H27ClN4O MolecularWeight: 410.93968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C#CC(C)NC2=CC=CC(=C2)C(=N)N)C(=O)N3CCCC3.Cl

Isomeric SMILES

CC1=C(C=CC(=C1)C#CC(C)NC2=CC=CC(=C2)C(=N)N)C(=O)N3CCCC3.Cl

InChI

InChI=1S/C23H26N4O.ClH/c1-16-14-18(10-11-21(16)23(28)27-12-3-4-13-27)9-8-17(2)26-20-7-5-6-19(15-20)22(24)25;/h5-7,10-11,14-15,17,26H,3-4,12-13H2,1-2H3,(H3,24,25);1H