(2S)-N-(4-azanyl-2-methyl-phenyl)-2-[bis(cyanomethyl)amino]propanamide

Systemtic Name: (2S)-N-(4-azanyl-2-methyl-phenyl)-2-[bis(cyanomethyl)amino]propanamide Openeye Name: (2S)-N-(4-amino-2-methyl-phenyl)-2-[bis(cyanomethyl)amino]propanamide CAS Name: (2S)-N-(4-amino-2-methylphenyl)-2-[bis(cyanomethyl)amino]propanamide IUPAC Name: (2S)-N-(4-amino-2-methylphenyl)-2-[bis(cyanomethyl)amino]propanamide Traditional Name: (2S)-N-(4-amino-2-methyl-phenyl)-2-[bis(cyanomethyl)amino]propionamide Formula: C14H17N5O MolecularWeight: 271.31768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N)NC(=O)C(C)N(CC#N)CC#N

Isomeric SMILES

CC1=C(C=CC(=C1)N)NC(=O)[C@H](C)N(CC#N)CC#N

InChI

InChI=1S/C14H17N5O/c1-10-9-12(17)3-4-13(10)18-14(20)11(2)19(7-5-15)8-6-16/h3-4,9,11H,7-8,17H2,1-2H3,(H,18,20)/t11-/m0/s1