4-[(3-azanyl-4-cyano-phenyl)methyl]-2,6-dimethyl-3-oxidanylidene-piperazine-1-carboxylic acid

Systemtic Name: 4-[(3-azanyl-4-cyano-phenyl)methyl]-2,6-dimethyl-3-oxidanylidene-piperazine-1-carboxylic acid Openeye Name: 4-[(3-amino-4-cyano-phenyl)methyl]-2,6-dimethyl-3-oxo-piperazine-1-carboxylic acid CAS Name: 4-[(3-amino-4-cyanophenyl)methyl]-2,6-dimethyl-3-oxo-1-piperazinecarboxylic acid IUPAC Name: 4-[(3-amino-4-cyanophenyl)methyl]-2,6-dimethyl-3-oxopiperazine-1-carboxylic acid Traditional Name: 4-(3-amino-4-cyano-benzyl)-3-keto-2,6-dimethyl-piperazine-1-carboxylic acid Formula: C15H18N4O3 MolecularWeight: 302.32842

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(=O)C(N1C(=O)O)C)CC2=CC(=C(C=C2)C#N)N

Isomeric SMILES

CC1CN(C(=O)C(N1C(=O)O)C)CC2=CC(=C(C=C2)C#N)N

InChI

InChI=1S/C15H18N4O3/c1-9-7-18(14(20)10(2)19(9)15(21)22)8-11-3-4-12(6-16)13(17)5-11/h3-5,9-10H,7-8,17H2,1-2H3,(H,21,22)