N-cyclopropyl-2-[4-[(E)-3-[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-cyclopropyl-2-[4-[(E)-3-[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-[(E)-3-(1-benzyl-3-phenyl-pyrazol-4-yl)prop-2-enoyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide CAS Name: N-cyclopropyl-2-[4-[(E)-1-oxo-3-[3-phenyl-1-(phenylmethyl)-4-pyrazolyl]prop-2-enyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-[4-[(E)-3-(1-benzyl-3-phenylpyrazol-4-yl)prop-2-enoyl]piperazin-1-ium-1-yl]-N-cyclopropylacetamide Traditional Name: 2-[4-[(E)-3-(1-benzyl-3-phenyl-pyrazol-4-yl)acryloyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide Formula: C28H32N5O2+ MolecularWeight: 470.58598

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=O)C=CC3=CN(N=C3C4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=O)/C=C/C3=CN(N=C3C4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C28H31N5O2/c34-26(29-25-12-13-25)21-31-15-17-32(18-16-31)27(35)14-11-24-20-33(19-22-7-3-1-4-8-22)30-28(24)23-9-5-2-6-10-23/h1-11,14,20,25H,12-13,15-19,21H2,(H,29,34)/p+1/b14-11+