3-(1-adamantylcarbamoylamino)-N-[[4-(3-oxidanylidenepiperazin-1-yl)phenyl]methyl]propanamide

Systemtic Name: 3-(1-adamantylcarbamoylamino)-N-[[4-(3-oxidanylidenepiperazin-1-yl)phenyl]methyl]propanamide Openeye Name: 3-(1-adamantylcarbamoylamino)-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]propanamide CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]-N-[[4-(3-oxo-1-piperazinyl)phenyl]methyl]propanamide IUPAC Name: 3-(1-adamantylcarbamoylamino)-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]propanamide Traditional Name: 3-(1-adamantylcarbamoylamino)-N-[4-(3-ketopiperazino)benzyl]propionamide Formula: C25H35N5O3 MolecularWeight: 453.5771

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C2=CC=C(C=C2)CNC(=O)CCNC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CN(CC(=O)N1)C2=CC=C(C=C2)CNC(=O)CCNC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H35N5O3/c31-22(28-15-17-1-3-21(4-2-17)30-8-7-26-23(32)16-30)5-6-27-24(33)29-25-12-18-9-19(13-25)11-20(10-18)14-25/h1-4,18-20H,5-16H2,(H,26,32)(H,28,31)(H2,27,29,33)