2-[4-[4-(3-chlorophenyl)piperazin-1-yl]but-2-ynyl]-2-phenyl-indene-1,3-dione

Systemtic Name: 2-[4-[4-(3-chlorophenyl)piperazin-1-yl]but-2-ynyl]-2-phenyl-indene-1,3-dione Openeye Name: 2-[4-[4-(3-chlorophenyl)piperazin-1-yl]but-2-ynyl]-2-phenyl-indane-1,3-dione CAS Name: 2-[4-[4-(3-chlorophenyl)-1-piperazinyl]but-2-ynyl]-2-phenylindene-1,3-dione IUPAC Name: 2-[4-[4-(3-chlorophenyl)piperazin-1-yl]but-2-ynyl]-2-phenylindene-1,3-dione Traditional Name: 2-[4-[4-(3-chlorophenyl)piperazino]but-2-ynyl]-2-phenyl-indane-1,3-quinone Formula: C29H25ClN2O2 MolecularWeight: 468.974

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC#CCC2(C(=O)C3=CC=CC=C3C2=O)C4=CC=CC=C4)C5=CC(=CC=C5)Cl

Isomeric SMILES

C1CN(CCN1CC#CCC2(C(=O)C3=CC=CC=C3C2=O)C4=CC=CC=C4)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C29H25ClN2O2/c30-23-11-8-12-24(21-23)32-19-17-31(18-20-32)16-7-6-15-29(22-9-2-1-3-10-22)27(33)25-13-4-5-14-26(25)28(29)34/h1-5,8-14,21H,15-20H2