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

Systemtic Name: 4-pentyl-N-[4-[4-(9H-xanthen-9-ylcarbonyl)piperazin-1-yl]phenyl]benzamide Openeye Name: 4-pentyl-N-[4-[4-(9H-xanthene-9-carbonyl)piperazin-1-yl]phenyl]benzamide CAS Name: N-[4-[4-[oxo(9H-xanthen-9-yl)methyl]-1-piperazinyl]phenyl]-4-pentylbenzamide IUPAC Name: 4-pentyl-N-[4-[4-(9H-xanthene-9-carbonyl)piperazin-1-yl]phenyl]benzamide Traditional Name: 4-amyl-N-[4-[4-(9H-xanthene-9-carbonyl)piperazino]phenyl]benzamide Formula: C36H37N3O3 MolecularWeight: 559.69728

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C4C5=CC=CC=C5OC6=CC=CC=C46

Isomeric SMILES

CCCCCC1=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/C36H37N3O3/c1-2-3-4-9-26-14-16-27(17-15-26)35(40)37-28-18-20-29(21-19-28)38-22-24-39(25-23-38)36(41)34-30-10-5-7-12-32(30)42-33-13-8-6-11-31(33)34/h5-8,10-21,34H,2-4,9,22-25H2,1H3,(H,37,40)