1-[(2-cyanoaziridin-1-yl)-[4-(hydroxymethyl)phenyl]methyl]aziridine-2-carboxamide

Systemtic Name: 1-[(2-cyanoaziridin-1-yl)-[4-(hydroxymethyl)phenyl]methyl]aziridine-2-carboxamide Openeye Name: 1-[(2-cyanoaziridin-1-yl)-[4-(hydroxymethyl)phenyl]methyl]aziridine-2-carboxamide CAS Name: 1-[(2-cyano-1-aziridinyl)-[4-(hydroxymethyl)phenyl]methyl]-2-aziridinecarboxamide IUPAC Name: 1-[(2-cyanoaziridin-1-yl)-[4-(hydroxymethyl)phenyl]methyl]aziridine-2-carboxamide Traditional Name: 1-[(2-cyanoethylenimin-1-yl)-(4-methylolphenyl)methyl]ethylenimine-2-carboxamide Formula: C14H16N4O2 MolecularWeight: 272.30244

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N1C(C2=CC=C(C=C2)CO)N3CC3C(=O)N)C#N

Isomeric SMILES

C1C(N1C(C2=CC=C(C=C2)CO)N3CC3C(=O)N)C#N

InChI

InChI=1S/C14H16N4O2/c15-5-11-6-17(11)14(18-7-12(18)13(16)20)10-3-1-9(8-19)2-4-10/h1-4,11-12,14,19H,6-8H2,(H2,16,20)