N-(1-adamantylcarbamoyl)-3-[4-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]piperazin-1-yl]propanamide

Systemtic Name: N-(1-adamantylcarbamoyl)-3-[4-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]piperazin-1-yl]propanamide Openeye Name: N-(1-adamantylcarbamoyl)-3-[4-[2-(benzylamino)-2-oxo-ethyl]piperazin-1-yl]propanamide CAS Name: N-[(1-adamantylamino)-oxomethyl]-3-[4-[2-oxo-2-[(phenylmethyl)amino]ethyl]-1-piperazinyl]propanamide IUPAC Name: N-(1-adamantylcarbamoyl)-3-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]propanamide Traditional Name: N-(1-adamantylcarbamoyl)-3-[4-[2-(benzylamino)-2-keto-ethyl]piperazino]propionamide Formula: C27H39N5O3 MolecularWeight: 481.63026

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3)CC(=O)NCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CCC(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3)CC(=O)NCC5=CC=CC=C5

InChI

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