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

Systemtic Name: 3-[3-[(4-carbamimidoylphenyl)amino]prop-1-ynyl]-N,4-dimethyl-N-phenyl-benzamide Openeye Name: 3-[3-(4-carbamimidoylanilino)prop-1-ynyl]-N,4-dimethyl-N-phenyl-benzamide CAS Name: 3-[3-(4-carbamimidoylanilino)prop-1-ynyl]-N,4-dimethyl-N-phenylbenzamide IUPAC Name: 3-[3-(4-carbamimidoylanilino)prop-1-ynyl]-N,4-dimethyl-N-phenylbenzamide Traditional Name: 3-[3-(4-amidinoanilino)prop-1-ynyl]-N,4-dimethyl-N-phenyl-benzamide Formula: C25H24N4O MolecularWeight: 396.48426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24N4O/c1-18-10-11-21(25(30)29(2)23-8-4-3-5-9-23)17-20(18)7-6-16-28-22-14-12-19(13-15-22)24(26)27/h3-5,8-15,17,28H,16H2,1-2H3,(H3,26,27)