(3S)-N-(2-cyanoethyl)-3-(4-fluorophenyl)-N-methyl-3-(4-propan-2-yloxyphenyl)propanamide

Systemtic Name: (3S)-N-(2-cyanoethyl)-3-(4-fluorophenyl)-N-methyl-3-(4-propan-2-yloxyphenyl)propanamide Openeye Name: (3S)-N-(2-cyanoethyl)-3-(4-fluorophenyl)-3-(4-isopropoxyphenyl)-N-methyl-propanamide CAS Name: (3S)-N-(2-cyanoethyl)-3-(4-fluorophenyl)-N-methyl-3-(4-propan-2-yloxyphenyl)propanamide IUPAC Name: (3S)-N-(2-cyanoethyl)-3-(4-fluorophenyl)-N-methyl-3-(4-propan-2-yloxyphenyl)propanamide Traditional Name: (3S)-N-(2-cyanoethyl)-3-(4-fluorophenyl)-3-(4-isopropoxyphenyl)-N-methyl-propionamide Formula: C22H25FN2O2 MolecularWeight: 368.444503

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C(CC(=O)N(C)CCC#N)C2=CC=C(C=C2)F

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)[C@H](CC(=O)N(C)CCC#N)C2=CC=C(C=C2)F

InChI

InChI=1S/C22H25FN2O2/c1-16(2)27-20-11-7-18(8-12-20)21(17-5-9-19(23)10-6-17)15-22(26)25(3)14-4-13-24/h5-12,16,21H,4,14-15H2,1-3H3/t21-/m1/s1