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

Systemtic Name: 1-(1-adamantyl)-3-[3-[4-(4-methylphenyl)carbonylpiperazin-1-yl]-3-oxidanylidene-propyl]urea Openeye Name: 1-(1-adamantyl)-3-[3-[4-(4-methylbenzoyl)piperazin-1-yl]-3-oxo-propyl]urea CAS Name: 1-(1-adamantyl)-3-[3-[4-[(4-methylphenyl)-oxomethyl]-1-piperazinyl]-3-oxopropyl]urea IUPAC Name: 1-(1-adamantyl)-3-[3-[4-(4-methylbenzoyl)piperazin-1-yl]-3-oxopropyl]urea Traditional Name: 1-(1-adamantyl)-3-[3-keto-3-(4-p-toluoylpiperazino)propyl]urea Formula: C26H36N4O3 MolecularWeight: 452.58904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H36N4O3/c1-18-2-4-22(5-3-18)24(32)30-10-8-29(9-11-30)23(31)6-7-27-25(33)28-26-15-19-12-20(16-26)14-21(13-19)17-26/h2-5,19-21H,6-17H2,1H3,(H2,27,28,33)