4-[3-[(4-carbamimidoylphenyl)amino]prop-1-ynyl]-N,2,5-trimethyl-N-pyridin-2-yl-benzamide

Systemtic Name: 4-[3-[(4-carbamimidoylphenyl)amino]prop-1-ynyl]-N,2,5-trimethyl-N-pyridin-2-yl-benzamide Openeye Name: 4-[3-(4-carbamimidoylanilino)prop-1-ynyl]-N,2,5-trimethyl-N-(2-pyridyl)benzamide CAS Name: 4-[3-(4-carbamimidoylanilino)prop-1-ynyl]-N,2,5-trimethyl-N-(2-pyridinyl)benzamide IUPAC Name: 4-[3-(4-carbamimidoylanilino)prop-1-ynyl]-N,2,5-trimethyl-N-pyridin-2-ylbenzamide Traditional Name: 4-[3-(4-amidinoanilino)prop-1-ynyl]-N,2,5-trimethyl-N-(2-pyridyl)benzamide Formula: C25H25N5O MolecularWeight: 411.4989

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C#CCNC2=CC=C(C=C2)C(=N)N)C)C(=O)N(C)C3=CC=CC=N3

Isomeric SMILES

CC1=CC(=C(C=C1C#CCNC2=CC=C(C=C2)C(=N)N)C)C(=O)N(C)C3=CC=CC=N3

InChI

InChI=1S/C25H25N5O/c1-17-16-22(25(31)30(3)23-8-4-5-13-29-23)18(2)15-20(17)7-6-14-28-21-11-9-19(10-12-21)24(26)27/h4-5,8-13,15-16,28H,14H2,1-3H3,(H3,26,27)