ethyl N-(3-cyano-1H-1,5-benzodiazepin-2-yl)carbamate

Systemtic Name: ethyl N-(3-cyano-1H-1,5-benzodiazepin-2-yl)carbamate Openeye Name: ethyl N-(3-cyano-1H-1,5-benzodiazepin-2-yl)carbamate CAS Name: N-(3-cyano-1H-1,5-benzodiazepin-2-yl)carbamic acid ethyl ester IUPAC Name: ethyl N-(3-cyano-1H-1,5-benzodiazepin-2-yl)carbamate Traditional Name: N-(3-cyano-1H-1,5-benzodiazepin-2-yl)carbamic acid ethyl ester Formula: C13H12N4O2 MolecularWeight: 256.25998

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=C(C=NC2=CC=CC=C2N1)C#N

Isomeric SMILES

CCOC(=O)NC1=C(C=NC2=CC=CC=C2N1)C#N

InChI

InChI=1S/C13H12N4O2/c1-2-19-13(18)17-12-9(7-14)8-15-10-5-3-4-6-11(10)16-12/h3-6,8,16H,2H2,1H3,(H,17,18)