1-[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-3-phenoxy-propan-1-one

Systemtic Name: 1-[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-3-phenoxy-propan-1-one Openeye Name: 1-[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-1-piperidyl]-3-phenoxy-propan-1-one CAS Name: 1-[(3S)-3-[4-(4-methoxyphenyl)-1-piperazinyl]-1-piperidinyl]-3-phenoxy-1-propanone IUPAC Name: 1-[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-3-phenoxypropan-1-one Traditional Name: 1-[(3S)-3-[4-(4-methoxyphenyl)piperazino]piperidino]-3-phenoxy-propan-1-one Formula: C25H33N3O3 MolecularWeight: 423.54782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C3CCCN(C3)C(=O)CCOC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)[C@H]3CCCN(C3)C(=O)CCOC4=CC=CC=C4

InChI

InChI=1S/C25H33N3O3/c1-30-23-11-9-21(10-12-23)26-15-17-27(18-16-26)22-6-5-14-28(20-22)25(29)13-19-31-24-7-3-2-4-8-24/h2-4,7-12,22H,5-6,13-20H2,1H3/t22-/m0/s1