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

Systemtic Name: 3-[3-[(4-carbamimidoylphenyl)amino]prop-1-ynyl]-N,4-dimethyl-N-pyridin-2-yl-benzamide Openeye Name: 3-[3-(4-carbamimidoylanilino)prop-1-ynyl]-N,4-dimethyl-N-(2-pyridyl)benzamide CAS Name: 3-[3-(4-carbamimidoylanilino)prop-1-ynyl]-N,4-dimethyl-N-(2-pyridinyl)benzamide IUPAC Name: 3-[3-(4-carbamimidoylanilino)prop-1-ynyl]-N,4-dimethyl-N-pyridin-2-ylbenzamide Traditional Name: 3-[3-(4-amidinoanilino)prop-1-ynyl]-N,4-dimethyl-N-(2-pyridyl)benzamide Formula: C24H23N5O MolecularWeight: 397.47232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N(C)C2=CC=CC=N2)C#CCNC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N(C)C2=CC=CC=N2)C#CCNC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C24H23N5O/c1-17-8-9-20(24(30)29(2)22-7-3-4-14-28-22)16-19(17)6-5-15-27-21-12-10-18(11-13-21)23(25)26/h3-4,7-14,16,27H,15H2,1-2H3,(H3,25,26)