N-[2-[3-[(4-carbamimidoylphenyl)amino]prop-1-ynyl]-5-(phenylcarbonyl)phenyl]ethanamide

Systemtic Name: N-[2-[3-[(4-carbamimidoylphenyl)amino]prop-1-ynyl]-5-(phenylcarbonyl)phenyl]ethanamide Openeye Name: N-[5-benzoyl-2-[3-(4-carbamimidoylanilino)prop-1-ynyl]phenyl]acetamide CAS Name: N-[5-benzoyl-2-[3-(4-carbamimidoylanilino)prop-1-ynyl]phenyl]acetamide IUPAC Name: N-[5-benzoyl-2-[3-(4-carbamimidoylanilino)prop-1-ynyl]phenyl]acetamide Traditional Name: N-[2-[3-(4-amidinoanilino)prop-1-ynyl]-5-benzoyl-phenyl]acetamide Formula: C25H22N4O2 MolecularWeight: 410.46778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)C(=O)C2=CC=CC=C2)C#CCNC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)C(=O)C2=CC=CC=C2)C#CCNC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C25H22N4O2/c1-17(30)29-23-16-21(24(31)19-6-3-2-4-7-19)10-9-18(23)8-5-15-28-22-13-11-20(12-14-22)25(26)27/h2-4,6-7,9-14,16,28H,15H2,1H3,(H3,26,27)(H,29,30)