N-[4-(4-ethylpiperazin-1-yl)-2-methyl-phenyl]-4-(2-phenylethynyl)benzamide

Systemtic Name: N-[4-(4-ethylpiperazin-1-yl)-2-methyl-phenyl]-4-(2-phenylethynyl)benzamide Openeye Name: N-[4-(4-ethylpiperazin-1-yl)-2-methyl-phenyl]-4-(2-phenylethynyl)benzamide CAS Name: N-[4-(4-ethyl-1-piperazinyl)-2-methylphenyl]-4-(2-phenylethynyl)benzamide IUPAC Name: N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-4-(2-phenylethynyl)benzamide Traditional Name: N-[4-(4-ethylpiperazino)-2-methyl-phenyl]-4-(2-phenylethynyl)benzamide Formula: C28H29N3O MolecularWeight: 423.54936

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C3=CC=C(C=C3)C#CC4=CC=CC=C4)C

Isomeric SMILES

CCN1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C3=CC=C(C=C3)C#CC4=CC=CC=C4)C

InChI

InChI=1S/C28H29N3O/c1-3-30-17-19-31(20-18-30)26-15-16-27(22(2)21-26)29-28(32)25-13-11-24(12-14-25)10-9-23-7-5-4-6-8-23/h4-8,11-16,21H,3,17-20H2,1-2H3,(H,29,32)