1-(1-adamantyl)-3-[3-[4-(2-fluorophenyl)carbonylpiperazin-1-yl]-3-oxidanylidene-propyl]urea

Systemtic Name: 1-(1-adamantyl)-3-[3-[4-(2-fluorophenyl)carbonylpiperazin-1-yl]-3-oxidanylidene-propyl]urea Openeye Name: 1-(1-adamantyl)-3-[3-[4-(2-fluorobenzoyl)piperazin-1-yl]-3-oxo-propyl]urea CAS Name: 1-(1-adamantyl)-3-[3-[4-[(2-fluorophenyl)-oxomethyl]-1-piperazinyl]-3-oxopropyl]urea IUPAC Name: 1-(1-adamantyl)-3-[3-[4-(2-fluorobenzoyl)piperazin-1-yl]-3-oxopropyl]urea Traditional Name: 1-(1-adamantyl)-3-[3-[4-(2-fluorobenzoyl)piperazino]-3-keto-propyl]urea Formula: C25H33FN4O3 MolecularWeight: 456.552923

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCNC(=O)NC23CC4CC(C2)CC(C4)C3)C(=O)C5=CC=CC=C5F

Isomeric SMILES

C1CN(CCN1C(=O)CCNC(=O)NC23CC4CC(C2)CC(C4)C3)C(=O)C5=CC=CC=C5F

InChI

InChI=1S/C25H33FN4O3/c26-21-4-2-1-3-20(21)23(32)30-9-7-29(8-10-30)22(31)5-6-27-24(33)28-25-14-17-11-18(15-25)13-19(12-17)16-25/h1-4,17-19H,5-16H2,(H2,27,28,33)