3-[3-(4-pyrrolidin-1-ylcarbonylphenyl)prop-2-ynylamino]benzenecarboximidamide hydrochloride

Systemtic Name: 3-[3-(4-pyrrolidin-1-ylcarbonylphenyl)prop-2-ynylamino]benzenecarboximidamide hydrochloride Openeye Name: 3-[3-[4-(pyrrolidine-1-carbonyl)phenyl]prop-2-ynylamino]benzamidine hydrochloride CAS Name: 3-[3-[4-[oxo(1-pyrrolidinyl)methyl]phenyl]prop-2-ynylamino]benzenecarboximidamide hydrochloride IUPAC Name: 3-[3-[4-(pyrrolidine-1-carbonyl)phenyl]prop-2-ynylamino]benzenecarboximidamide hydrochloride Traditional Name: 3-[3-[4-(pyrrolidine-1-carbonyl)phenyl]prop-2-ynylamino]benzamidine hydrochloride Formula: C21H23ClN4O MolecularWeight: 382.88652

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC=C(C=C2)C#CCNC3=CC=CC(=C3)C(=N)N.Cl

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC=C(C=C2)C#CCNC3=CC=CC(=C3)C(=N)N.Cl

InChI

InChI=1S/C21H22N4O.ClH/c22-20(23)18-6-3-7-19(15-18)24-12-4-5-16-8-10-17(11-9-16)21(26)25-13-1-2-14-25;/h3,6-11,15,24H,1-2,12-14H2,(H3,22,23);1H