4-[4-[(Z)-2-chloranyl-3-phenyl-prop-2-enyl]piperazin-1-yl]-2-(oxolan-2-ylmethyl)isoindole-1,3-dione

Systemtic Name: 4-[4-[(Z)-2-chloranyl-3-phenyl-prop-2-enyl]piperazin-1-yl]-2-(oxolan-2-ylmethyl)isoindole-1,3-dione Openeye Name: 4-[4-[(Z)-2-chloro-3-phenyl-allyl]piperazin-1-yl]-2-(tetrahydrofuran-2-ylmethyl)isoindoline-1,3-dione CAS Name: 4-[4-[(Z)-2-chloro-3-phenylprop-2-enyl]-1-piperazinyl]-2-(2-oxolanylmethyl)isoindole-1,3-dione IUPAC Name: 4-[4-[(Z)-2-chloro-3-phenylprop-2-enyl]piperazin-1-yl]-2-(oxolan-2-ylmethyl)isoindole-1,3-dione Traditional Name: 4-[4-[(Z)-2-chloro-3-phenyl-allyl]piperazino]-2-(tetrahydrofurfuryl)isoindoline-1,3-quinone Formula: C26H28ClN3O3 MolecularWeight: 465.97182

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=O)C3=C(C2=O)C(=CC=C3)N4CCN(CC4)CC(=CC5=CC=CC=C5)Cl

Isomeric SMILES

C1CC(OC1)CN2C(=O)C3=C(C2=O)C(=CC=C3)N4CCN(CC4)C/C(=C/C5=CC=CC=C5)/Cl

InChI

InChI=1S/C26H28ClN3O3/c27-20(16-19-6-2-1-3-7-19)17-28-11-13-29(14-12-28)23-10-4-9-22-24(23)26(32)30(25(22)31)18-21-8-5-15-33-21/h1-4,6-7,9-10,16,21H,5,8,11-15,17-18H2/b20-16-