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

Systemtic Name: 3-bromanyl-N-[4-[4-(9H-xanthen-9-ylcarbonyl)piperazin-1-yl]phenyl]benzamide Openeye Name: 3-bromo-N-[4-[4-(9H-xanthene-9-carbonyl)piperazin-1-yl]phenyl]benzamide CAS Name: 3-bromo-N-[4-[4-[oxo(9H-xanthen-9-yl)methyl]-1-piperazinyl]phenyl]benzamide IUPAC Name: 3-bromo-N-[4-[4-(9H-xanthene-9-carbonyl)piperazin-1-yl]phenyl]benzamide Traditional Name: 3-bromo-N-[4-[4-(9H-xanthene-9-carbonyl)piperazino]phenyl]benzamide Formula: C31H26BrN3O3 MolecularWeight: 568.46044

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)Br)C(=O)C4C5=CC=CC=C5OC6=CC=CC=C46

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)Br)C(=O)C4C5=CC=CC=C5OC6=CC=CC=C46

InChI

InChI=1S/C31H26BrN3O3/c32-22-7-5-6-21(20-22)30(36)33-23-12-14-24(15-13-23)34-16-18-35(19-17-34)31(37)29-25-8-1-3-10-27(25)38-28-11-4-2-9-26(28)29/h1-15,20,29H,16-19H2,(H,33,36)