4-butyl-N-[4-[4-(9H-xanthen-9-ylcarbonyl)piperazin-1-yl]phenyl]benzamide

Systemtic Name: 4-butyl-N-[4-[4-(9H-xanthen-9-ylcarbonyl)piperazin-1-yl]phenyl]benzamide Openeye Name: 4-butyl-N-[4-[4-(9H-xanthene-9-carbonyl)piperazin-1-yl]phenyl]benzamide CAS Name: 4-butyl-N-[4-[4-[oxo(9H-xanthen-9-yl)methyl]-1-piperazinyl]phenyl]benzamide IUPAC Name: 4-butyl-N-[4-[4-(9H-xanthene-9-carbonyl)piperazin-1-yl]phenyl]benzamide Traditional Name: 4-butyl-N-[4-[4-(9H-xanthene-9-carbonyl)piperazino]phenyl]benzamide Formula: C35H35N3O3 MolecularWeight: 545.6707

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C4C5=CC=CC=C5OC6=CC=CC=C46

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C4C5=CC=CC=C5OC6=CC=CC=C46

InChI

InChI=1S/C35H35N3O3/c1-2-3-8-25-13-15-26(16-14-25)34(39)36-27-17-19-28(20-18-27)37-21-23-38(24-22-37)35(40)33-29-9-4-6-11-31(29)41-32-12-7-5-10-30(32)33/h4-7,9-20,33H,2-3,8,21-24H2,1H3,(H,36,39)