N-[[(2S)-1-(cyanomethyl)pyrrolidin-2-yl]methyl]-2-[(6-methyl-2-oxidanylidene-1H-quinolin-4-yl)methylamino]ethanamide

Systemtic Name: N-[[(2S)-1-(cyanomethyl)pyrrolidin-2-yl]methyl]-2-[(6-methyl-2-oxidanylidene-1H-quinolin-4-yl)methylamino]ethanamide Openeye Name: N-[[(2S)-1-(cyanomethyl)pyrrolidin-2-yl]methyl]-2-[(6-methyl-2-oxo-1H-quinolin-4-yl)methylamino]acetamide CAS Name: N-[[(2S)-1-(cyanomethyl)-2-pyrrolidinyl]methyl]-2-[(6-methyl-2-oxo-1H-quinolin-4-yl)methylamino]acetamide IUPAC Name: N-[[(2S)-1-(cyanomethyl)pyrrolidin-2-yl]methyl]-2-[(6-methyl-2-oxo-1H-quinolin-4-yl)methylamino]acetamide Traditional Name: N-[[(2S)-1-(cyanomethyl)pyrrolidin-2-yl]methyl]-2-[(2-keto-6-methyl-1H-quinolin-4-yl)methylamino]acetamide Formula: C20H25N5O2 MolecularWeight: 367.4448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=O)C=C2CNCC(=O)NCC3CCCN3CC#N

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=O)C=C2CNCC(=O)NC[C@@H]3CCCN3CC#N

InChI

InChI=1S/C20H25N5O2/c1-14-4-5-18-17(9-14)15(10-19(26)24-18)11-22-13-20(27)23-12-16-3-2-7-25(16)8-6-21/h4-5,9-10,16,22H,2-3,7-8,11-13H2,1H3,(H,23,27)(H,24,26)/t16-/m0/s1