3-[3-[(4-carbamimidoylphenyl)amino]prop-1-ynyl]-4-methyl-N-phenethyl-benzamide

Systemtic Name: 3-[3-[(4-carbamimidoylphenyl)amino]prop-1-ynyl]-4-methyl-N-phenethyl-benzamide Openeye Name: 3-[3-(4-carbamimidoylanilino)prop-1-ynyl]-4-methyl-N-phenethyl-benzamide CAS Name: 3-[3-(4-carbamimidoylanilino)prop-1-ynyl]-4-methyl-N-phenethylbenzamide IUPAC Name: 3-[3-(4-carbamimidoylanilino)prop-1-ynyl]-4-methyl-N-phenethylbenzamide Traditional Name: 3-[3-(4-amidinoanilino)prop-1-ynyl]-4-methyl-N-phenethyl-benzamide Formula: C26H26N4O MolecularWeight: 410.51084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCCC2=CC=CC=C2)C#CCNC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCCC2=CC=CC=C2)C#CCNC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C26H26N4O/c1-19-9-10-23(26(31)30-17-15-20-6-3-2-4-7-20)18-22(19)8-5-16-29-24-13-11-21(12-14-24)25(27)28/h2-4,6-7,9-14,18,29H,15-17H2,1H3,(H3,27,28)(H,30,31)