4-[4-[(Z)-2-chloranyl-3-phenyl-prop-2-enyl]piperazin-4-ium-1-yl]-2-(2-pyrazol-1-ylethyl)isoindole-1,3-dione

Systemtic Name: 4-[4-[(Z)-2-chloranyl-3-phenyl-prop-2-enyl]piperazin-4-ium-1-yl]-2-(2-pyrazol-1-ylethyl)isoindole-1,3-dione Openeye Name: 4-[4-[(Z)-2-chloro-3-phenyl-allyl]piperazin-4-ium-1-yl]-2-(2-pyrazol-1-ylethyl)isoindoline-1,3-dione CAS Name: 4-[4-[(Z)-2-chloro-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]-2-[2-(1-pyrazolyl)ethyl]isoindole-1,3-dione IUPAC Name: 4-[4-[(Z)-2-chloro-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]-2-(2-pyrazol-1-ylethyl)isoindole-1,3-dione Traditional Name: 4-[4-[(Z)-2-chloro-3-phenyl-allyl]piperazin-4-ium-1-yl]-2-(2-pyrazol-1-ylethyl)isoindoline-1,3-quinone Formula: C26H27ClN5O2+ MolecularWeight: 476.97788

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=CC2=CC=CC=C2)Cl)C3=CC=CC4=C3C(=O)N(C4=O)CCN5C=CC=N5

Isomeric SMILES

C1CN(CC[NH+]1C/C(=C/C2=CC=CC=C2)/Cl)C3=CC=CC4=C3C(=O)N(C4=O)CCN5C=CC=N5

InChI

InChI=1S/C26H26ClN5O2/c27-21(18-20-6-2-1-3-7-20)19-29-12-14-30(15-13-29)23-9-4-8-22-24(23)26(34)32(25(22)33)17-16-31-11-5-10-28-31/h1-11,18H,12-17,19H2/p+1/b21-18-