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

Systemtic Name: 1-(1-adamantyl)-3-[4-[4-(9H-xanthen-9-ylcarbonyl)piperazin-1-yl]phenyl]urea Openeye Name: 1-(1-adamantyl)-3-[4-[4-(9H-xanthene-9-carbonyl)piperazin-1-yl]phenyl]urea CAS Name: 1-(1-adamantyl)-3-[4-[4-[oxo(9H-xanthen-9-yl)methyl]-1-piperazinyl]phenyl]urea IUPAC Name: 1-(1-adamantyl)-3-[4-[4-(9H-xanthene-9-carbonyl)piperazin-1-yl]phenyl]urea Traditional Name: 1-(1-adamantyl)-3-[4-[4-(9H-xanthene-9-carbonyl)piperazino]phenyl]urea Formula: C35H38N4O3 MolecularWeight: 562.70122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)NC(=O)NC34CC5CC(C3)CC(C5)C4)C(=O)C6C7=CC=CC=C7OC8=CC=CC=C68

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)NC(=O)NC34CC5CC(C3)CC(C5)C4)C(=O)C6C7=CC=CC=C7OC8=CC=CC=C68

InChI

InChI=1S/C35H38N4O3/c40-33(32-28-5-1-3-7-30(28)42-31-8-4-2-6-29(31)32)39-15-13-38(14-16-39)27-11-9-26(10-12-27)36-34(41)37-35-20-23-17-24(21-35)19-25(18-23)22-35/h1-12,23-25,32H,13-22H2,(H2,36,37,41)