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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N5O2/c1-28-19-7-2-6-18(15-19)24-11-13-25(14-12-24)20(27)17-5-3-10-26(16-17)21-22-8-4-9-23-21/h2,4,6-9,15,17H,3,5,10-14,16H2,1H3/t17-/m0/s1