N-[(1S)-1-(6-chloranyl-1H-benzimidazol-2-yl)-2-cyano-ethyl]-3-methyl-4-(3-oxidanylidenemorpholin-4-yl)benzamide

Systemtic Name: N-[(1S)-1-(6-chloranyl-1H-benzimidazol-2-yl)-2-cyano-ethyl]-3-methyl-4-(3-oxidanylidenemorpholin-4-yl)benzamide Openeye Name: N-[(1S)-1-(6-chloro-1H-benzimidazol-2-yl)-2-cyano-ethyl]-3-methyl-4-(3-oxomorpholin-4-yl)benzamide CAS Name: N-[(1S)-1-(6-chloro-1H-benzimidazol-2-yl)-2-cyanoethyl]-3-methyl-4-(3-oxo-4-morpholinyl)benzamide IUPAC Name: N-[(1S)-1-(6-chloro-1H-benzimidazol-2-yl)-2-cyanoethyl]-3-methyl-4-(3-oxomorpholin-4-yl)benzamide Traditional Name: N-[(1S)-1-(6-chloro-1H-benzimidazol-2-yl)-2-cyano-ethyl]-4-(3-ketomorpholino)-3-methyl-benzamide Formula: C22H20ClN5O3 MolecularWeight: 437.8789

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC(CC#N)C2=NC3=C(N2)C=C(C=C3)Cl)N4CCOCC4=O

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N[C@@H](CC#N)C2=NC3=C(N2)C=C(C=C3)Cl)N4CCOCC4=O

InChI

InChI=1S/C22H20ClN5O3/c1-13-10-14(2-5-19(13)28-8-9-31-12-20(28)29)22(30)27-17(6-7-24)21-25-16-4-3-15(23)11-18(16)26-21/h2-5,10-11,17H,6,8-9,12H2,1H3,(H,25,26)(H,27,30)/t17-/m0/s1