[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-pyridin-4-yl-methanone

Systemtic Name: [(3S)-3-[4-(4-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-pyridin-4-yl-methanone Openeye Name: [(3S)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-1-piperidyl]-(4-pyridyl)methanone CAS Name: [(3S)-3-[4-(4-methoxyphenyl)-1-piperazinyl]-1-piperidinyl]-pyridin-4-ylmethanone IUPAC Name: [(3S)-3-[4-(4-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-pyridin-4-ylmethanone Traditional Name: [(3S)-3-[4-(4-methoxyphenyl)piperazino]piperidino]-(4-pyridyl)methanone Formula: C22H28N4O2 MolecularWeight: 380.48332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O2/c1-28-21-6-4-19(5-7-21)24-13-15-25(16-14-24)20-3-2-12-26(17-20)22(27)18-8-10-23-11-9-18/h4-11,20H,2-3,12-17H2,1H3/t20-/m0/s1