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

Systemtic Name: 1-(3-chloranyl-4-methyl-phenyl)-3-[4-[4-(9H-xanthen-9-ylcarbonyl)piperazin-1-yl]phenyl]urea Openeye Name: 1-(3-chloro-4-methyl-phenyl)-3-[4-[4-(9H-xanthene-9-carbonyl)piperazin-1-yl]phenyl]urea CAS Name: 1-(3-chloro-4-methylphenyl)-3-[4-[4-[oxo(9H-xanthen-9-yl)methyl]-1-piperazinyl]phenyl]urea IUPAC Name: 1-(3-chloro-4-methylphenyl)-3-[4-[4-(9H-xanthene-9-carbonyl)piperazin-1-yl]phenyl]urea Traditional Name: 1-(3-chloro-4-methyl-phenyl)-3-[4-[4-(9H-xanthene-9-carbonyl)piperazino]phenyl]urea Formula: C32H29ClN4O3 MolecularWeight: 553.05066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C4C5=CC=CC=C5OC6=CC=CC=C46)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C4C5=CC=CC=C5OC6=CC=CC=C46)Cl

InChI

InChI=1S/C32H29ClN4O3/c1-21-10-11-23(20-27(21)33)35-32(39)34-22-12-14-24(15-13-22)36-16-18-37(19-17-36)31(38)30-25-6-2-4-8-28(25)40-29-9-5-3-7-26(29)30/h2-15,20,30H,16-19H2,1H3,(H2,34,35,39)