(5R,6S)-5-[(1-tert-butylpyrrol-3-yl)methylamino]-6-(2-fluorophenyl)piperidin-2-one

Systemtic Name: (5R,6S)-5-[(1-tert-butylpyrrol-3-yl)methylamino]-6-(2-fluorophenyl)piperidin-2-one Openeye Name: (5R,6S)-5-[(1-tert-butylpyrrol-3-yl)methylamino]-6-(2-fluorophenyl)piperidin-2-one CAS Name: (5R,6S)-5-[(1-tert-butyl-3-pyrrolyl)methylamino]-6-(2-fluorophenyl)-2-piperidinone IUPAC Name: (5R,6S)-5-[(1-tert-butylpyrrol-3-yl)methylamino]-6-(2-fluorophenyl)piperidin-2-one Traditional Name: (5R,6S)-5-[(1-tert-butylpyrrol-3-yl)methylamino]-6-(2-fluorophenyl)-2-piperidone Formula: C20H26FN3O MolecularWeight: 343.438343

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C=CC(=C1)CNC2CCC(=O)NC2C3=CC=CC=C3F

Isomeric SMILES

CC(C)(C)N1C=CC(=C1)CN[C@@H]2CCC(=O)N[C@H]2C3=CC=CC=C3F

InChI

InChI=1S/C20H26FN3O/c1-20(2,3)24-11-10-14(13-24)12-22-17-8-9-18(25)23-19(17)15-6-4-5-7-16(15)21/h4-7,10-11,13,17,19,22H,8-9,12H2,1-3H3,(H,23,25)/t17-,19+/m1/s1