4-[[3-(1-adamantylcarbamoylamino)propanoyl-cyclopropyl-amino]methyl]-N-methyl-benzamide

Systemtic Name: 4-[[3-(1-adamantylcarbamoylamino)propanoyl-cyclopropyl-amino]methyl]-N-methyl-benzamide Openeye Name: 4-[[3-(1-adamantylcarbamoylamino)propanoyl-cyclopropyl-amino]methyl]-N-methyl-benzamide CAS Name: 4-[[[3-[[(1-adamantylamino)-oxomethyl]amino]-1-oxopropyl]-cyclopropylamino]methyl]-N-methylbenzamide IUPAC Name: 4-[[3-(1-adamantylcarbamoylamino)propanoyl-cyclopropylamino]methyl]-N-methylbenzamide Traditional Name: 4-[[3-(1-adamantylcarbamoylamino)propanoyl-cyclopropyl-amino]methyl]-N-methyl-benzamide Formula: C26H36N4O3 MolecularWeight: 452.58904

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=C(C=C1)CN(C2CC2)C(=O)CCNC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CNC(=O)C1=CC=C(C=C1)CN(C2CC2)C(=O)CCNC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H36N4O3/c1-27-24(32)21-4-2-17(3-5-21)16-30(22-6-7-22)23(31)8-9-28-25(33)29-26-13-18-10-19(14-26)12-20(11-18)15-26/h2-5,18-20,22H,6-16H2,1H3,(H,27,32)(H2,28,29,33)