3,5-dimethoxy-N-[4-[4-(9H-xanthen-9-ylcarbonyl)piperazin-1-yl]phenyl]benzamide

Systemtic Name: 3,5-dimethoxy-N-[4-[4-(9H-xanthen-9-ylcarbonyl)piperazin-1-yl]phenyl]benzamide Openeye Name: 3,5-dimethoxy-N-[4-[4-(9H-xanthene-9-carbonyl)piperazin-1-yl]phenyl]benzamide CAS Name: 3,5-dimethoxy-N-[4-[4-[oxo(9H-xanthen-9-yl)methyl]-1-piperazinyl]phenyl]benzamide IUPAC Name: 3,5-dimethoxy-N-[4-[4-(9H-xanthene-9-carbonyl)piperazin-1-yl]phenyl]benzamide Traditional Name: 3,5-dimethoxy-N-[4-[4-(9H-xanthene-9-carbonyl)piperazino]phenyl]benzamide Formula: C33H31N3O5 MolecularWeight: 549.61634

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C4C5=CC=CC=C5OC6=CC=CC=C46)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C4C5=CC=CC=C5OC6=CC=CC=C46)OC

InChI

InChI=1S/C33H31N3O5/c1-39-25-19-22(20-26(21-25)40-2)32(37)34-23-11-13-24(14-12-23)35-15-17-36(18-16-35)33(38)31-27-7-3-5-9-29(27)41-30-10-6-4-8-28(30)31/h3-14,19-21,31H,15-18H2,1-2H3,(H,34,37)