3-(1-adamantylcarbamoylamino)-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide

Systemtic Name: 3-(1-adamantylcarbamoylamino)-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide Openeye Name: 3-(1-adamantylcarbamoylamino)-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]-N-[2-(4-phenyl-1-piperazinyl)ethyl]propanamide IUPAC Name: 3-(1-adamantylcarbamoylamino)-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide Traditional Name: 3-(1-adamantylcarbamoylamino)-N-[2-(4-phenylpiperazino)ethyl]propionamide Formula: C26H39N5O2 MolecularWeight: 453.62016

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCNC(=O)CCNC(=O)NC23CC4CC(C2)CC(C4)C3)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CCNC(=O)CCNC(=O)NC23CC4CC(C2)CC(C4)C3)C5=CC=CC=C5

InChI

InChI=1S/C26H39N5O2/c32-24(27-8-9-30-10-12-31(13-11-30)23-4-2-1-3-5-23)6-7-28-25(33)29-26-17-20-14-21(18-26)16-22(15-20)19-26/h1-5,20-22H,6-19H2,(H,27,32)(H2,28,29,33)