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

Systemtic Name: N-[4-[3-[(3-carbamimidoylphenyl)amino]prop-1-ynyl]-2-methyl-phenyl]-N-cyclopentyl-ethanamide hydrochloride Openeye Name: N-[4-[3-(3-carbamimidoylanilino)prop-1-ynyl]-2-methyl-phenyl]-N-cyclopentyl-acetamide hydrochloride CAS Name: N-[4-[3-(3-carbamimidoylanilino)prop-1-ynyl]-2-methylphenyl]-N-cyclopentylacetamide hydrochloride IUPAC Name: N-[4-[3-(3-carbamimidoylanilino)prop-1-ynyl]-2-methylphenyl]-N-cyclopentylacetamide hydrochloride Traditional Name: N-[4-[3-(3-amidinoanilino)prop-1-ynyl]-2-methyl-phenyl]-N-cyclopentyl-acetamide hydrochloride Formula: C24H29ClN4O MolecularWeight: 424.96626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C#CCNC2=CC=CC(=C2)C(=N)N)N(C3CCCC3)C(=O)C.Cl

Isomeric SMILES

CC1=C(C=CC(=C1)C#CCNC2=CC=CC(=C2)C(=N)N)N(C3CCCC3)C(=O)C.Cl

InChI

InChI=1S/C24H28N4O.ClH/c1-17-15-19(7-6-14-27-21-9-5-8-20(16-21)24(25)26)12-13-23(17)28(18(2)29)22-10-3-4-11-22;/h5,8-9,12-13,15-16,22,27H,3-4,10-11,14H2,1-2H3,(H3,25,26);1H