1-(1-adamantyl)-3-[4-[4-(2-methylphenyl)carbonylpiperazin-1-yl]phenyl]urea

Systemtic Name: 1-(1-adamantyl)-3-[4-[4-(2-methylphenyl)carbonylpiperazin-1-yl]phenyl]urea Openeye Name: 1-(1-adamantyl)-3-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]urea CAS Name: 1-(1-adamantyl)-3-[4-[4-[(2-methylphenyl)-oxomethyl]-1-piperazinyl]phenyl]urea IUPAC Name: 1-(1-adamantyl)-3-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]urea Traditional Name: 1-(1-adamantyl)-3-[4-(4-o-toluoylpiperazino)phenyl]urea Formula: C29H36N4O2 MolecularWeight: 472.62174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C29H36N4O2/c1-20-4-2-3-5-26(20)27(34)33-12-10-32(11-13-33)25-8-6-24(7-9-25)30-28(35)31-29-17-21-14-22(18-29)16-23(15-21)19-29/h2-9,21-23H,10-19H2,1H3,(H2,30,31,35)