9-[3-[4-[2-[(3-chlorophenyl)methyl]-3-oxidanylidene-1H-isoindol-5-yl]piperazin-1-yl]propyl]-N-ethyl-xanthene-9-carboxamide

Systemtic Name: 9-[3-[4-[2-[(3-chlorophenyl)methyl]-3-oxidanylidene-1H-isoindol-5-yl]piperazin-1-yl]propyl]-N-ethyl-xanthene-9-carboxamide Openeye Name: 9-[3-[4-[2-[(3-chlorophenyl)methyl]-3-oxo-isoindolin-5-yl]piperazin-1-yl]propyl]-N-ethyl-xanthene-9-carboxamide CAS Name: 9-[3-[4-[2-[(3-chlorophenyl)methyl]-3-oxo-1H-isoindol-5-yl]-1-piperazinyl]propyl]-N-ethyl-9-xanthenecarboxamide IUPAC Name: 9-[3-[4-[2-[(3-chlorophenyl)methyl]-3-oxo-1H-isoindol-5-yl]piperazin-1-yl]propyl]-N-ethylxanthene-9-carboxamide Traditional Name: 9-[3-[4-[2-(3-chlorobenzyl)-3-keto-isoindolin-5-yl]piperazino]propyl]-N-ethyl-xanthene-9-carboxamide Formula: C38H39ClN4O3 MolecularWeight: 635.19426

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1(C2=CC=CC=C2OC3=CC=CC=C31)CCCN4CCN(CC4)C5=CC6=C(CN(C6=O)CC7=CC(=CC=C7)Cl)C=C5

Isomeric SMILES

CCNC(=O)C1(C2=CC=CC=C2OC3=CC=CC=C31)CCCN4CCN(CC4)C5=CC6=C(CN(C6=O)CC7=CC(=CC=C7)Cl)C=C5

InChI

InChI=1S/C38H39ClN4O3/c1-2-40-37(45)38(32-11-3-5-13-34(32)46-35-14-6-4-12-33(35)38)17-8-18-41-19-21-42(22-20-41)30-16-15-28-26-43(36(44)31(28)24-30)25-27-9-7-10-29(39)23-27/h3-7,9-16,23-24H,2,8,17-22,25-26H2,1H3,(H,40,45)