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

Systemtic Name: 4-[4-[(E)-2-methyl-3-phenyl-prop-2-enyl]piperazin-4-ium-1-yl]-2-(2-pyrazol-1-ylethyl)isoindole-1,3-dione Openeye Name: 4-[4-[(E)-2-methyl-3-phenyl-allyl]piperazin-4-ium-1-yl]-2-(2-pyrazol-1-ylethyl)isoindoline-1,3-dione CAS Name: 4-[4-[(E)-2-methyl-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]-2-[2-(1-pyrazolyl)ethyl]isoindole-1,3-dione IUPAC Name: 4-[4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]-2-(2-pyrazol-1-ylethyl)isoindole-1,3-dione Traditional Name: 4-[4-[(E)-2-methyl-3-phenyl-allyl]piperazin-4-ium-1-yl]-2-(2-pyrazol-1-ylethyl)isoindoline-1,3-quinone Formula: C27H30N5O2+ MolecularWeight: 456.5594

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC=CC=C1)C[NH+]2CCN(CC2)C3=CC=CC4=C3C(=O)N(C4=O)CCN5C=CC=N5

Isomeric SMILES

C/C(=C\C1=CC=CC=C1)/C[NH+]2CCN(CC2)C3=CC=CC4=C3C(=O)N(C4=O)CCN5C=CC=N5

InChI

InChI=1S/C27H29N5O2/c1-21(19-22-7-3-2-4-8-22)20-29-13-15-30(16-14-29)24-10-5-9-23-25(24)27(34)32(26(23)33)18-17-31-12-6-11-28-31/h2-12,19H,13-18,20H2,1H3/p+1/b21-19+