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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N(C)C2CCCC2)C#CCNC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N(C)C2CCCC2)C#CCNC3=CC=C(C=C3)C(=N)N

InChI

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