1-[3-(1-adamantylcarbamoylamino)propyl]-3-(3-chlorophenyl)-1-(4-methoxyphenyl)urea

Systemtic Name: 1-[3-(1-adamantylcarbamoylamino)propyl]-3-(3-chlorophenyl)-1-(4-methoxyphenyl)urea Openeye Name: 1-[3-(1-adamantylcarbamoylamino)propyl]-3-(3-chlorophenyl)-1-(4-methoxyphenyl)urea CAS Name: 1-[3-[[(1-adamantylamino)-oxomethyl]amino]propyl]-3-(3-chlorophenyl)-1-(4-methoxyphenyl)urea IUPAC Name: 1-[3-(1-adamantylcarbamoylamino)propyl]-3-(3-chlorophenyl)-1-(4-methoxyphenyl)urea Traditional Name: 1-[3-(1-adamantylcarbamoylamino)propyl]-3-(3-chlorophenyl)-1-(4-methoxyphenyl)urea Formula: C28H35ClN4O3 MolecularWeight: 511.0555

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N(CCCNC(=O)NC23CC4CC(C2)CC(C4)C3)C(=O)NC5=CC(=CC=C5)Cl

Isomeric SMILES

COC1=CC=C(C=C1)N(CCCNC(=O)NC23CC4CC(C2)CC(C4)C3)C(=O)NC5=CC(=CC=C5)Cl

InChI

InChI=1S/C28H35ClN4O3/c1-36-25-8-6-24(7-9-25)33(27(35)31-23-5-2-4-22(29)15-23)11-3-10-30-26(34)32-28-16-19-12-20(17-28)14-21(13-19)18-28/h2,4-9,15,19-21H,3,10-14,16-18H2,1H3,(H,31,35)(H2,30,32,34)