1-[2-chloranyl-5-[4-(hydroxymethyl)phenyl]phenyl]-N-(cyanomethyl)-4-methyl-pyrrolidine-2-carboxamide

Systemtic Name: 1-[2-chloranyl-5-[4-(hydroxymethyl)phenyl]phenyl]-N-(cyanomethyl)-4-methyl-pyrrolidine-2-carboxamide Openeye Name: 1-[2-chloro-5-[4-(hydroxymethyl)phenyl]phenyl]-N-(cyanomethyl)-4-methyl-pyrrolidine-2-carboxamide CAS Name: 1-[2-chloro-5-[4-(hydroxymethyl)phenyl]phenyl]-N-(cyanomethyl)-4-methyl-2-pyrrolidinecarboxamide IUPAC Name: 1-[2-chloro-5-[4-(hydroxymethyl)phenyl]phenyl]-N-(cyanomethyl)-4-methylpyrrolidine-2-carboxamide Traditional Name: 1-[2-chloro-5-(4-methylolphenyl)phenyl]-N-(cyanomethyl)-4-methyl-pyrrolidine-2-carboxamide Formula: C21H22ClN3O2 MolecularWeight: 383.87128

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(N(C1)C2=C(C=CC(=C2)C3=CC=C(C=C3)CO)Cl)C(=O)NCC#N

Isomeric SMILES

CC1CC(N(C1)C2=C(C=CC(=C2)C3=CC=C(C=C3)CO)Cl)C(=O)NCC#N

InChI

InChI=1S/C21H22ClN3O2/c1-14-10-20(21(27)24-9-8-23)25(12-14)19-11-17(6-7-18(19)22)16-4-2-15(13-26)3-5-16/h2-7,11,14,20,26H,9-10,12-13H2,1H3,(H,24,27)