4-[3-(4-methylphenyl)-3-[4-(phenylmethyl)piperazin-1-yl]prop-1-ynyl]benzamide

Systemtic Name: 4-[3-(4-methylphenyl)-3-[4-(phenylmethyl)piperazin-1-yl]prop-1-ynyl]benzamide Openeye Name: 4-[3-(4-benzylpiperazin-1-yl)-3-(p-tolyl)prop-1-ynyl]benzamide CAS Name: 4-[3-(4-methylphenyl)-3-[4-(phenylmethyl)-1-piperazinyl]prop-1-ynyl]benzamide IUPAC Name: 4-[3-(4-benzylpiperazin-1-yl)-3-(4-methylphenyl)prop-1-ynyl]benzamide Traditional Name: 4-[3-(4-benzylpiperazino)-3-(p-tolyl)prop-1-ynyl]benzamide Formula: C28H29N3O MolecularWeight: 423.54936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C#CC2=CC=C(C=C2)C(=O)N)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C(C#CC2=CC=C(C=C2)C(=O)N)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C28H29N3O/c1-22-7-12-25(13-8-22)27(16-11-23-9-14-26(15-10-23)28(29)32)31-19-17-30(18-20-31)21-24-5-3-2-4-6-24/h2-10,12-15,27H,17-21H2,1H3,(H2,29,32)