3-(1-adamantyl)-1-[(4-tert-butylphenyl)methyl]-1-[1-(phenylmethyl)piperidin-4-yl]urea

Systemtic Name: 3-(1-adamantyl)-1-[(4-tert-butylphenyl)methyl]-1-[1-(phenylmethyl)piperidin-4-yl]urea Openeye Name: 3-(1-adamantyl)-1-(1-benzyl-4-piperidyl)-1-[(4-tert-butylphenyl)methyl]urea CAS Name: 3-(1-adamantyl)-1-[(4-tert-butylphenyl)methyl]-1-[1-(phenylmethyl)-4-piperidinyl]urea IUPAC Name: 3-(1-adamantyl)-1-(1-benzylpiperidin-4-yl)-1-[(4-tert-butylphenyl)methyl]urea Traditional Name: 3-(1-adamantyl)-1-(1-benzyl-4-piperidyl)-1-(4-tert-butylbenzyl)urea Formula: C34H47N3O MolecularWeight: 513.75648

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN(C2CCN(CC2)CC3=CC=CC=C3)C(=O)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN(C2CCN(CC2)CC3=CC=CC=C3)C(=O)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C34H47N3O/c1-33(2,3)30-11-9-26(10-12-30)24-37(31-13-15-36(16-14-31)23-25-7-5-4-6-8-25)32(38)35-34-20-27-17-28(21-34)19-29(18-27)22-34/h4-12,27-29,31H,13-24H2,1-3H3,(H,35,38)