N-(3-carbamimidoylphenyl)-N-[3-(3-methyl-4-pyrrolidin-1-ylcarbonyl-phenyl)prop-2-ynyl]ethanamide hydrochloride

Systemtic Name: N-(3-carbamimidoylphenyl)-N-[3-(3-methyl-4-pyrrolidin-1-ylcarbonyl-phenyl)prop-2-ynyl]ethanamide hydrochloride Openeye Name: N-(3-carbamimidoylphenyl)-N-[3-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]prop-2-ynyl]acetamide hydrochloride CAS Name: N-(3-carbamimidoylphenyl)-N-[3-[3-methyl-4-[oxo(1-pyrrolidinyl)methyl]phenyl]prop-2-ynyl]acetamide hydrochloride IUPAC Name: N-(3-carbamimidoylphenyl)-N-[3-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]prop-2-ynyl]acetamide hydrochloride Traditional Name: N-(3-amidinophenyl)-N-[3-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]prop-2-ynyl]acetamide hydrochloride Formula: C24H27ClN4O2 MolecularWeight: 438.94978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N4O2.ClH/c1-17-15-19(10-11-22(17)24(30)27-12-3-4-13-27)7-6-14-28(18(2)29)21-9-5-8-20(16-21)23(25)26;/h5,8-11,15-16H,3-4,12-14H2,1-2H3,(H3,25,26);1H