4-[3-(4-carbamimidoylphenoxy)prop-1-ynyl]-N,2,5-trimethyl-N-phenyl-benzamide

Systemtic Name: 4-[3-(4-carbamimidoylphenoxy)prop-1-ynyl]-N,2,5-trimethyl-N-phenyl-benzamide Openeye Name: 4-[3-(4-carbamimidoylphenoxy)prop-1-ynyl]-N,2,5-trimethyl-N-phenyl-benzamide CAS Name: 4-[3-(4-carbamimidoylphenoxy)prop-1-ynyl]-N,2,5-trimethyl-N-phenylbenzamide IUPAC Name: 4-[3-(4-carbamimidoylphenoxy)prop-1-ynyl]-N,2,5-trimethyl-N-phenylbenzamide Traditional Name: 4-[3-(4-amidinophenoxy)prop-1-ynyl]-N,2,5-trimethyl-N-phenyl-benzamide Formula: C26H25N3O2 MolecularWeight: 411.4956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C#CCOC2=CC=C(C=C2)C(=N)N)C)C(=O)N(C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1C#CCOC2=CC=C(C=C2)C(=N)N)C)C(=O)N(C)C3=CC=CC=C3

InChI

InChI=1S/C26H25N3O2/c1-18-17-24(26(30)29(3)22-9-5-4-6-10-22)19(2)16-21(18)8-7-15-31-23-13-11-20(12-14-23)25(27)28/h4-6,9-14,16-17H,15H2,1-3H3,(H3,27,28)