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

Systemtic Name: 4-[3-[(4-carbamimidoylphenyl)amino]prop-1-ynyl]-N-methyl-N-phenyl-benzamide Openeye Name: 4-[3-(4-carbamimidoylanilino)prop-1-ynyl]-N-methyl-N-phenyl-benzamide CAS Name: 4-[3-(4-carbamimidoylanilino)prop-1-ynyl]-N-methyl-N-phenylbenzamide IUPAC Name: 4-[3-(4-carbamimidoylanilino)prop-1-ynyl]-N-methyl-N-phenylbenzamide Traditional Name: 4-[3-(4-amidinoanilino)prop-1-ynyl]-N-methyl-N-phenyl-benzamide Formula: C24H22N4O MolecularWeight: 382.45768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22N4O/c1-28(22-7-3-2-4-8-22)24(29)20-11-9-18(10-12-20)6-5-17-27-21-15-13-19(14-16-21)23(25)26/h2-4,7-16,27H,17H2,1H3,(H3,25,26)