N,N-bis(cyanomethyl)-1-[1-(4-methylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonyl-piperidine-4-carboxamide

Systemtic Name: N,N-bis(cyanomethyl)-1-[1-(4-methylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonyl-piperidine-4-carboxamide Openeye Name: N,N-bis(cyanomethyl)-1-[5-oxo-1-(p-tolyl)pyrrolidine-3-carbonyl]piperidine-4-carboxamide CAS Name: N,N-bis(cyanomethyl)-1-[[1-(4-methylphenyl)-5-oxo-3-pyrrolidinyl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: N,N-bis(cyanomethyl)-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide Traditional Name: N,N-bis(cyanomethyl)-1-[5-keto-1-(p-tolyl)pyrrolidine-3-carbonyl]isonipecotamide Formula: C22H25N5O3 MolecularWeight: 407.4656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)N3CCC(CC3)C(=O)N(CC#N)CC#N

Isomeric SMILES

CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)N3CCC(CC3)C(=O)N(CC#N)CC#N

InChI

InChI=1S/C22H25N5O3/c1-16-2-4-19(5-3-16)27-15-18(14-20(27)28)22(30)25-10-6-17(7-11-25)21(29)26(12-8-23)13-9-24/h2-5,17-18H,6-7,10-15H2,1H3