4-chloranyl-N-[3-cyano-4,5-dimethyl-1-[(1S)-1-phenylethyl]pyrrol-2-yl]benzamide

Systemtic Name: 4-chloranyl-N-[3-cyano-4,5-dimethyl-1-[(1S)-1-phenylethyl]pyrrol-2-yl]benzamide Openeye Name: 4-chloro-N-[3-cyano-4,5-dimethyl-1-[(1S)-1-phenylethyl]pyrrol-2-yl]benzamide CAS Name: 4-chloro-N-[3-cyano-4,5-dimethyl-1-[(1S)-1-phenylethyl]-2-pyrrolyl]benzamide IUPAC Name: 4-chloro-N-[3-cyano-4,5-dimethyl-1-[(1S)-1-phenylethyl]pyrrol-2-yl]benzamide Traditional Name: 4-chloro-N-[3-cyano-4,5-dimethyl-1-[(1S)-1-phenylethyl]pyrrol-2-yl]benzamide Formula: C22H20ClN3O MolecularWeight: 377.8667

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)C2=CC=C(C=C2)Cl)C(C)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)C2=CC=C(C=C2)Cl)[C@@H](C)C3=CC=CC=C3)C

InChI

InChI=1S/C22H20ClN3O/c1-14-15(2)26(16(3)17-7-5-4-6-8-17)21(20(14)13-24)25-22(27)18-9-11-19(23)12-10-18/h4-12,16H,1-3H3,(H,25,27)/t16-/m0/s1