4-[3-[(4-carbamimidoylphenyl)amino]prop-1-ynyl]-N-cyclopentyl-N,2-dimethyl-benzamide

Systemtic Name: 4-[3-[(4-carbamimidoylphenyl)amino]prop-1-ynyl]-N-cyclopentyl-N,2-dimethyl-benzamide Openeye Name: 4-[3-(4-carbamimidoylanilino)prop-1-ynyl]-N-cyclopentyl-N,2-dimethyl-benzamide CAS Name: 4-[3-(4-carbamimidoylanilino)prop-1-ynyl]-N-cyclopentyl-N,2-dimethylbenzamide IUPAC Name: 4-[3-(4-carbamimidoylanilino)prop-1-ynyl]-N-cyclopentyl-N,2-dimethylbenzamide Traditional Name: 4-[3-(4-amidinoanilino)prop-1-ynyl]-N-cyclopentyl-N,2-dimethyl-benzamide Formula: C24H28N4O MolecularWeight: 388.50532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N4O/c1-17-16-18(6-5-15-27-20-12-10-19(11-13-20)23(25)26)9-14-22(17)24(29)28(2)21-7-3-4-8-21/h9-14,16,21,27H,3-4,7-8,15H2,1-2H3,(H3,25,26)