(3S)-N,N-bis(cyanomethyl)-1-(3-methoxyphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: (3S)-N,N-bis(cyanomethyl)-1-(3-methoxyphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: (3S)-N,N-bis(cyanomethyl)-1-(3-methoxyphenyl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: (3S)-N,N-bis(cyanomethyl)-1-(3-methoxyphenyl)-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: (3S)-N,N-bis(cyanomethyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: (3S)-N,N-bis(cyanomethyl)-5-keto-1-(3-methoxyphenyl)pyrrolidine-3-carboxamide Formula: C16H16N4O3 MolecularWeight: 312.32324

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CC(CC2=O)C(=O)N(CC#N)CC#N

Isomeric SMILES

COC1=CC=CC(=C1)N2C[C@H](CC2=O)C(=O)N(CC#N)CC#N

InChI

InChI=1S/C16H16N4O3/c1-23-14-4-2-3-13(10-14)20-11-12(9-15(20)21)16(22)19(7-5-17)8-6-18/h2-4,10,12H,7-9,11H2,1H3/t12-/m0/s1