1-[(3S)-3-[(3,4-dimethylphenyl)amino]piperidin-1-yl]-3-pyridin-4-yl-propan-1-one

Systemtic Name: 1-[(3S)-3-[(3,4-dimethylphenyl)amino]piperidin-1-yl]-3-pyridin-4-yl-propan-1-one Openeye Name: 1-[(3S)-3-(3,4-dimethylanilino)-1-piperidyl]-3-(4-pyridyl)propan-1-one CAS Name: 1-[(3S)-3-(3,4-dimethylanilino)-1-piperidinyl]-3-pyridin-4-yl-1-propanone IUPAC Name: 1-[(3S)-3-(3,4-dimethylanilino)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one Traditional Name: 1-[(3S)-3-(3,4-dimethylanilino)piperidino]-3-(4-pyridyl)propan-1-one Formula: C21H27N3O MolecularWeight: 337.45858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2CCCN(C2)C(=O)CCC3=CC=NC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)N[C@H]2CCCN(C2)C(=O)CCC3=CC=NC=C3)C

InChI

InChI=1S/C21H27N3O/c1-16-5-7-19(14-17(16)2)23-20-4-3-13-24(15-20)21(25)8-6-18-9-11-22-12-10-18/h5,7,9-12,14,20,23H,3-4,6,8,13,15H2,1-2H3/t20-/m0/s1