3-[3-(2,5-dimethyl-4-pyrrolidin-1-ylcarbonyl-phenyl)prop-2-ynylamino]benzenecarboximidamide hydrochloride

Systemtic Name: 3-[3-(2,5-dimethyl-4-pyrrolidin-1-ylcarbonyl-phenyl)prop-2-ynylamino]benzenecarboximidamide hydrochloride Openeye Name: 3-[3-[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)phenyl]prop-2-ynylamino]benzamidine hydrochloride CAS Name: 3-[3-[2,5-dimethyl-4-[oxo(1-pyrrolidinyl)methyl]phenyl]prop-2-ynylamino]benzenecarboximidamide hydrochloride IUPAC Name: 3-[3-[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)phenyl]prop-2-ynylamino]benzenecarboximidamide hydrochloride Traditional Name: 3-[3-[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)phenyl]prop-2-ynylamino]benzamidine hydrochloride Formula: C23H27ClN4O MolecularWeight: 410.93968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C#CCNC2=CC=CC(=C2)C(=N)N)C)C(=O)N3CCCC3.Cl

Isomeric SMILES

CC1=CC(=C(C=C1C#CCNC2=CC=CC(=C2)C(=N)N)C)C(=O)N3CCCC3.Cl

InChI

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