1-(4-bromophenyl)-3-[4-[4-(9H-xanthen-9-ylcarbonyl)piperazin-1-yl]phenyl]urea

Systemtic Name: 1-(4-bromophenyl)-3-[4-[4-(9H-xanthen-9-ylcarbonyl)piperazin-1-yl]phenyl]urea Openeye Name: 1-(4-bromophenyl)-3-[4-[4-(9H-xanthene-9-carbonyl)piperazin-1-yl]phenyl]urea CAS Name: 1-(4-bromophenyl)-3-[4-[4-[oxo(9H-xanthen-9-yl)methyl]-1-piperazinyl]phenyl]urea IUPAC Name: 1-(4-bromophenyl)-3-[4-[4-(9H-xanthene-9-carbonyl)piperazin-1-yl]phenyl]urea Traditional Name: 1-(4-bromophenyl)-3-[4-[4-(9H-xanthene-9-carbonyl)piperazino]phenyl]urea Formula: C31H27BrN4O3 MolecularWeight: 583.47508

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)NC(=O)NC3=CC=C(C=C3)Br)C(=O)C4C5=CC=CC=C5OC6=CC=CC=C46

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)NC(=O)NC3=CC=C(C=C3)Br)C(=O)C4C5=CC=CC=C5OC6=CC=CC=C46

InChI

InChI=1S/C31H27BrN4O3/c32-21-9-11-22(12-10-21)33-31(38)34-23-13-15-24(16-14-23)35-17-19-36(20-18-35)30(37)29-25-5-1-3-7-27(25)39-28-8-4-2-6-26(28)29/h1-16,29H,17-20H2,(H2,33,34,38)