2-[4-[3-(1-adamantylcarbamoylamino)propanoyl]piperazin-1-yl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[4-[3-(1-adamantylcarbamoylamino)propanoyl]piperazin-1-yl]-N-(phenylmethyl)ethanamide Openeye Name: 2-[4-[3-(1-adamantylcarbamoylamino)propanoyl]piperazin-1-yl]-N-benzyl-acetamide CAS Name: 2-[4-[3-[[(1-adamantylamino)-oxomethyl]amino]-1-oxopropyl]-1-piperazinyl]-N-(phenylmethyl)acetamide IUPAC Name: 2-[4-[3-(1-adamantylcarbamoylamino)propanoyl]piperazin-1-yl]-N-benzylacetamide Traditional Name: 2-[4-[3-(1-adamantylcarbamoylamino)propanoyl]piperazino]-N-benzyl-acetamide Formula: C27H39N5O3 MolecularWeight: 481.63026

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)NCC2=CC=CC=C2)C(=O)CCNC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CN(CCN1CC(=O)NCC2=CC=CC=C2)C(=O)CCNC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C27H39N5O3/c33-24(29-18-20-4-2-1-3-5-20)19-31-8-10-32(11-9-31)25(34)6-7-28-26(35)30-27-15-21-12-22(16-27)14-23(13-21)17-27/h1-5,21-23H,6-19H2,(H,29,33)(H2,28,30,35)