N-[[4-[3-[(4-carbamimidoylphenyl)amino]prop-1-ynyl]phenyl]methyl]-N-phenyl-ethanamide

Systemtic Name: N-[[4-[3-[(4-carbamimidoylphenyl)amino]prop-1-ynyl]phenyl]methyl]-N-phenyl-ethanamide Openeye Name: N-[[4-[3-(4-carbamimidoylanilino)prop-1-ynyl]phenyl]methyl]-N-phenyl-acetamide CAS Name: N-[[4-[3-(4-carbamimidoylanilino)prop-1-ynyl]phenyl]methyl]-N-phenylacetamide IUPAC Name: N-[[4-[3-(4-carbamimidoylanilino)prop-1-ynyl]phenyl]methyl]-N-phenylacetamide Traditional Name: N-[4-[3-(4-amidinoanilino)prop-1-ynyl]benzyl]-N-phenyl-acetamide Formula: C25H24N4O MolecularWeight: 396.48426

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(CC1=CC=C(C=C1)C#CCNC2=CC=C(C=C2)C(=N)N)C3=CC=CC=C3

Isomeric SMILES

CC(=O)N(CC1=CC=C(C=C1)C#CCNC2=CC=C(C=C2)C(=N)N)C3=CC=CC=C3

InChI

InChI=1S/C25H24N4O/c1-19(30)29(24-7-3-2-4-8-24)18-21-11-9-20(10-12-21)6-5-17-28-23-15-13-22(14-16-23)25(26)27/h2-4,7-16,28H,17-18H2,1H3,(H3,26,27)