(2S)-N-(3-azanyl-2-methyl-phenyl)-2-(3-oxidanylidenepiperazin-1-yl)propanamide

Systemtic Name: (2S)-N-(3-azanyl-2-methyl-phenyl)-2-(3-oxidanylidenepiperazin-1-yl)propanamide Openeye Name: (2S)-N-(3-amino-2-methyl-phenyl)-2-(3-oxopiperazin-1-yl)propanamide CAS Name: (2S)-N-(3-amino-2-methylphenyl)-2-(3-oxo-1-piperazinyl)propanamide IUPAC Name: (2S)-N-(3-amino-2-methylphenyl)-2-(3-oxopiperazin-1-yl)propanamide Traditional Name: (2S)-N-(3-amino-2-methyl-phenyl)-2-(3-ketopiperazino)propionamide Formula: C14H20N4O2 MolecularWeight: 276.3342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)C(C)N2CCNC(=O)C2)N

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)[C@H](C)N2CCNC(=O)C2)N

InChI

InChI=1S/C14H20N4O2/c1-9-11(15)4-3-5-12(9)17-14(20)10(2)18-7-6-16-13(19)8-18/h3-5,10H,6-8,15H2,1-2H3,(H,16,19)(H,17,20)/t10-/m0/s1