1-(1-adamantyl)-3-[3-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-3-oxidanylidene-propyl]urea

Systemtic Name: 1-(1-adamantyl)-3-[3-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-3-oxidanylidene-propyl]urea Openeye Name: 1-(1-adamantyl)-3-[3-[4-(o-tolylmethyl)piperazin-1-yl]-3-oxo-propyl]urea CAS Name: 1-(1-adamantyl)-3-[3-[4-[(2-methylphenyl)methyl]-1-piperazinyl]-3-oxopropyl]urea IUPAC Name: 1-(1-adamantyl)-3-[3-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-3-oxopropyl]urea Traditional Name: 1-(1-adamantyl)-3-[3-keto-3-[4-(2-methylbenzyl)piperazino]propyl]urea Formula: C26H38N4O2 MolecularWeight: 438.60552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCN(CC2)C(=O)CCNC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC=CC=C1CN2CCN(CC2)C(=O)CCNC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H38N4O2/c1-19-4-2-3-5-23(19)18-29-8-10-30(11-9-29)24(31)6-7-27-25(32)28-26-15-20-12-21(16-26)14-22(13-20)17-26/h2-5,20-22H,6-18H2,1H3,(H2,27,28,32)