1-(1-adamantyl)-3-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxidanylidene-propyl]urea

Systemtic Name: 1-(1-adamantyl)-3-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxidanylidene-propyl]urea Openeye Name: 1-(1-adamantyl)-3-[3-[4-(m-tolyl)piperazin-1-yl]-3-oxo-propyl]urea CAS Name: 1-(1-adamantyl)-3-[3-[4-(3-methylphenyl)-1-piperazinyl]-3-oxopropyl]urea IUPAC Name: 1-(1-adamantyl)-3-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]urea Traditional Name: 1-(1-adamantyl)-3-[3-keto-3-[4-(m-tolyl)piperazino]propyl]urea Formula: C25H36N4O2 MolecularWeight: 424.57894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)CCNC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)CCNC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H36N4O2/c1-18-3-2-4-22(11-18)28-7-9-29(10-8-28)23(30)5-6-26-24(31)27-25-15-19-12-20(16-25)14-21(13-19)17-25/h2-4,11,19-21H,5-10,12-17H2,1H3,(H2,26,27,31)