N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]-4-pyrazol-1-yl-benzamide

Systemtic Name: N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]-4-pyrazol-1-yl-benzamide Openeye Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-4-pyrazol-1-yl-benzamide CAS Name: N-[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]phenyl]-4-(1-pyrazolyl)benzamide IUPAC Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-4-pyrazol-1-ylbenzamide Traditional Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-4-pyrazol-1-yl-benzamide Formula: C27H28N5O+ MolecularWeight: 438.54412

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)N5C=CC=N5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)N5C=CC=N5

InChI

InChI=1S/C27H27N5O/c33-27(23-7-11-26(12-8-23)32-16-4-15-28-32)29-24-9-13-25(14-10-24)31-19-17-30(18-20-31)21-22-5-2-1-3-6-22/h1-16H,17-21H2,(H,29,33)/p+1