4-[[[3-(1-adamantylcarbamoylamino)-3-oxidanylidene-propyl]-(furan-2-ylmethyl)amino]methyl]-N-methyl-benzamide

Systemtic Name: 4-[[[3-(1-adamantylcarbamoylamino)-3-oxidanylidene-propyl]-(furan-2-ylmethyl)amino]methyl]-N-methyl-benzamide Openeye Name: 4-[[[3-(1-adamantylcarbamoylamino)-3-oxo-propyl]-(2-furylmethyl)amino]methyl]-N-methyl-benzamide CAS Name: 4-[[[3-[[(1-adamantylamino)-oxomethyl]amino]-3-oxopropyl]-(2-furanylmethyl)amino]methyl]-N-methylbenzamide IUPAC Name: 4-[[[3-(1-adamantylcarbamoylamino)-3-oxopropyl]-(furan-2-ylmethyl)amino]methyl]-N-methylbenzamide Traditional Name: 4-[[[3-(1-adamantylcarbamoylamino)-3-keto-propyl]-(2-furfuryl)amino]methyl]-N-methyl-benzamide Formula: C28H36N4O4 MolecularWeight: 492.60984

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=C(C=C1)CN(CCC(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3)CC5=CC=CO5

Isomeric SMILES

CNC(=O)C1=CC=C(C=C1)CN(CCC(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3)CC5=CC=CO5

InChI

InChI=1S/C28H36N4O4/c1-29-26(34)23-6-4-19(5-7-23)17-32(18-24-3-2-10-36-24)9-8-25(33)30-27(35)31-28-14-20-11-21(15-28)13-22(12-20)16-28/h2-7,10,20-22H,8-9,11-18H2,1H3,(H,29,34)(H2,30,31,33,35)