(2S)-N-[(4-azanylcyclohexyl)methyl]-1-[(E)-2-cyano-3-phenyl-prop-2-enoyl]pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-[(4-azanylcyclohexyl)methyl]-1-[(E)-2-cyano-3-phenyl-prop-2-enoyl]pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[(4-aminocyclohexyl)methyl]-1-[(E)-2-cyano-3-phenyl-prop-2-enoyl]pyrrolidine-2-carboxamide CAS Name: (2S)-N-[(4-aminocyclohexyl)methyl]-1-[(E)-2-cyano-1-oxo-3-phenylprop-2-enyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[(4-aminocyclohexyl)methyl]-1-[(E)-2-cyano-3-phenylprop-2-enoyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-N-[(4-aminocyclohexyl)methyl]-1-[(E)-2-cyano-3-phenyl-acryloyl]pyrrolidine-2-carboxamide Formula: C22H28N4O2 MolecularWeight: 380.48332

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(=CC2=CC=CC=C2)C#N)C(=O)NCC3CCC(CC3)N

Isomeric SMILES

C1C[C@H](N(C1)C(=O)/C(=C/C2=CC=CC=C2)/C#N)C(=O)NCC3CCC(CC3)N

InChI

InChI=1S/C22H28N4O2/c23-14-18(13-16-5-2-1-3-6-16)22(28)26-12-4-7-20(26)21(27)25-15-17-8-10-19(24)11-9-17/h1-3,5-6,13,17,19-20H,4,7-12,15,24H2,(H,25,27)/b18-13+/t17?,19?,20-/m0/s1