(3-propan-2-yloxyphenyl)-[(3S)-1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone

Systemtic Name: (3-propan-2-yloxyphenyl)-[(3S)-1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone Openeye Name: (3-isopropoxyphenyl)-[(3S)-1-[1-(2-pyridylmethyl)-4-piperidyl]-3-piperidyl]methanone CAS Name: (3-propan-2-yloxyphenyl)-[(3S)-1-[1-(2-pyridinylmethyl)-4-piperidinyl]-3-piperidinyl]methanone IUPAC Name: (3-propan-2-yloxyphenyl)-[(3S)-1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone Traditional Name: (3-isopropoxyphenyl)-[(3S)-1-[1-(2-pyridylmethyl)-4-piperidyl]-3-piperidyl]methanone Formula: C26H35N3O2 MolecularWeight: 421.575

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C(=O)C2CCCN(C2)C3CCN(CC3)CC4=CC=CC=N4

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C(=O)[C@H]2CCCN(C2)C3CCN(CC3)CC4=CC=CC=N4

InChI

InChI=1S/C26H35N3O2/c1-20(2)31-25-10-5-7-21(17-25)26(30)22-8-6-14-29(18-22)24-11-15-28(16-12-24)19-23-9-3-4-13-27-23/h3-5,7,9-10,13,17,20,22,24H,6,8,11-12,14-16,18-19H2,1-2H3/t22-/m0/s1