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

Systemtic Name: 4-hexyl-N-[4-[4-(9H-xanthen-9-ylcarbonyl)piperazin-1-yl]phenyl]benzamide Openeye Name: 4-hexyl-N-[4-[4-(9H-xanthene-9-carbonyl)piperazin-1-yl]phenyl]benzamide CAS Name: 4-hexyl-N-[4-[4-[oxo(9H-xanthen-9-yl)methyl]-1-piperazinyl]phenyl]benzamide IUPAC Name: 4-hexyl-N-[4-[4-(9H-xanthene-9-carbonyl)piperazin-1-yl]phenyl]benzamide Traditional Name: 4-hexyl-N-[4-[4-(9H-xanthene-9-carbonyl)piperazino]phenyl]benzamide Formula: C37H39N3O3 MolecularWeight: 573.72386

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C4C5=CC=CC=C5OC6=CC=CC=C46

Isomeric SMILES

CCCCCCC1=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/C37H39N3O3/c1-2-3-4-5-10-27-15-17-28(18-16-27)36(41)38-29-19-21-30(22-20-29)39-23-25-40(26-24-39)37(42)35-31-11-6-8-13-33(31)43-34-14-9-7-12-32(34)35/h6-9,11-22,35H,2-5,10,23-26H2,1H3,(H,38,41)