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

Systemtic Name: 3-[3-[(4-carbamimidoylphenyl)amino]prop-1-ynyl]-N,4-dimethyl-N-phenethyl-benzamide Openeye Name: 3-[3-(4-carbamimidoylanilino)prop-1-ynyl]-N,4-dimethyl-N-phenethyl-benzamide CAS Name: 3-[3-(4-carbamimidoylanilino)prop-1-ynyl]-N,4-dimethyl-N-phenethylbenzamide IUPAC Name: 3-[3-(4-carbamimidoylanilino)prop-1-ynyl]-N,4-dimethyl-N-phenethylbenzamide Traditional Name: 3-[3-(4-amidinoanilino)prop-1-ynyl]-N,4-dimethyl-N-phenethyl-benzamide Formula: C27H28N4O MolecularWeight: 424.53742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N(C)CCC2=CC=CC=C2)C#CCNC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N(C)CCC2=CC=CC=C2)C#CCNC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C27H28N4O/c1-20-10-11-24(27(32)31(2)18-16-21-7-4-3-5-8-21)19-23(20)9-6-17-30-25-14-12-22(13-15-25)26(28)29/h3-5,7-8,10-15,19,30H,16-18H2,1-2H3,(H3,28,29)