(E)-1-[(3S)-3-[(4-propan-2-ylphenyl)amino]piperidin-1-yl]-3-pyridin-2-yl-prop-2-en-1-one

Systemtic Name: (E)-1-[(3S)-3-[(4-propan-2-ylphenyl)amino]piperidin-1-yl]-3-pyridin-2-yl-prop-2-en-1-one Openeye Name: (E)-1-[(3S)-3-(4-isopropylanilino)-1-piperidyl]-3-(2-pyridyl)prop-2-en-1-one CAS Name: (E)-1-[(3S)-3-(4-propan-2-ylanilino)-1-piperidinyl]-3-(2-pyridinyl)-2-propen-1-one IUPAC Name: (E)-1-[(3S)-3-(4-propan-2-ylanilino)piperidin-1-yl]-3-pyridin-2-ylprop-2-en-1-one Traditional Name: (E)-1-[(3S)-3-cumidinopiperidino]-3-(2-pyridyl)prop-2-en-1-one Formula: C22H27N3O MolecularWeight: 349.46928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC2CCCN(C2)C(=O)C=CC3=CC=CC=N3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)N[C@H]2CCCN(C2)C(=O)/C=C/C3=CC=CC=N3

InChI

InChI=1S/C22H27N3O/c1-17(2)18-8-10-20(11-9-18)24-21-7-5-15-25(16-21)22(26)13-12-19-6-3-4-14-23-19/h3-4,6,8-14,17,21,24H,5,7,15-16H2,1-2H3/b13-12+/t21-/m0/s1