2-[2-[4-[(4-cyanophenyl)methyl]piperazin-1-ium-1-yl]ethanoylamino]-N-phenyl-benzamide

Systemtic Name: 2-[2-[4-[(4-cyanophenyl)methyl]piperazin-1-ium-1-yl]ethanoylamino]-N-phenyl-benzamide Openeye Name: 2-[[2-[4-[(4-cyanophenyl)methyl]piperazin-1-ium-1-yl]acetyl]amino]-N-phenyl-benzamide CAS Name: 2-[[2-[4-[(4-cyanophenyl)methyl]-1-piperazin-1-iumyl]-1-oxoethyl]amino]-N-phenylbenzamide IUPAC Name: 2-[[2-[4-[(4-cyanophenyl)methyl]piperazin-1-ium-1-yl]acetyl]amino]-N-phenylbenzamide Traditional Name: 2-[[2-[4-(4-cyanobenzyl)piperazin-1-ium-1-yl]acetyl]amino]-N-phenyl-benzamide Formula: C27H28N5O2+ MolecularWeight: 454.54352

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2C(=O)NC3=CC=CC=C3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2C(=O)NC3=CC=CC=C3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C27H27N5O2/c28-18-21-10-12-22(13-11-21)19-31-14-16-32(17-15-31)20-26(33)30-25-9-5-4-8-24(25)27(34)29-23-6-2-1-3-7-23/h1-13H,14-17,19-20H2,(H,29,34)(H,30,33)/p+1