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

Systemtic Name: 3-[3-[(4-carbamimidoylphenyl)amino]prop-1-ynyl]-N,4-dimethyl-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-3-[3-(4-carbamimidoylanilino)prop-1-ynyl]-N,4-dimethyl-benzamide CAS Name: 3-[3-(4-carbamimidoylanilino)prop-1-ynyl]-N,4-dimethyl-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-3-[3-(4-carbamimidoylanilino)prop-1-ynyl]-N,4-dimethylbenzamide Traditional Name: 3-[3-(4-amidinoanilino)prop-1-ynyl]-N-benzyl-N,4-dimethyl-benzamide Formula: C26H26N4O MolecularWeight: 410.51084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N(C)CC2=CC=CC=C2)C#CCNC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N(C)CC2=CC=CC=C2)C#CCNC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C26H26N4O/c1-19-10-11-23(26(31)30(2)18-20-7-4-3-5-8-20)17-22(19)9-6-16-29-24-14-12-21(13-15-24)25(27)28/h3-5,7-8,10-15,17,29H,16,18H2,1-2H3,(H3,27,28)