[4-(4-methoxyphenyl)piperazin-1-yl]-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methanone

Systemtic Name: [4-(4-methoxyphenyl)piperazin-1-yl]-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methanone Openeye Name: [4-(4-methoxyphenyl)piperazin-1-yl]-[(3S)-1-pyrimidin-2-yl-3-piperidyl]methanone CAS Name: [4-(4-methoxyphenyl)-1-piperazinyl]-[(3S)-1-(2-pyrimidinyl)-3-piperidinyl]methanone IUPAC Name: [4-(4-methoxyphenyl)piperazin-1-yl]-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methanone Traditional Name: [4-(4-methoxyphenyl)piperazino]-[(3S)-1-(2-pyrimidyl)-3-piperidyl]methanone Formula: C21H27N5O2 MolecularWeight: 381.47138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3CCCN(C3)C4=NC=CC=N4

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)[C@H]3CCCN(C3)C4=NC=CC=N4

InChI

InChI=1S/C21H27N5O2/c1-28-19-7-5-18(6-8-19)24-12-14-25(15-13-24)20(27)17-4-2-11-26(16-17)21-22-9-3-10-23-21/h3,5-10,17H,2,4,11-16H2,1H3/t17-/m0/s1