[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]-(1-pyrazin-2-ylpiperidin-3-yl)methanone

Systemtic Name: [4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]-(1-pyrazin-2-ylpiperidin-3-yl)methanone Openeye Name: [4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-1-yl]-(1-pyrazin-2-yl-3-piperidyl)methanone CAS Name: [4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazinyl]-[1-(2-pyrazinyl)-3-piperidinyl]methanone IUPAC Name: [4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-(1-pyrazin-2-ylpiperidin-3-yl)methanone Traditional Name: [4-(3-fluoro-4-methoxy-benzyl)piperazino]-(1-pyrazin-2-yl-3-piperidyl)methanone Formula: C22H28FN5O2 MolecularWeight: 413.488423

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCN(CC2)C(=O)C3CCCN(C3)C4=NC=CN=C4)F

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCN(CC2)C(=O)C3CCCN(C3)C4=NC=CN=C4)F

InChI

InChI=1S/C22H28FN5O2/c1-30-20-5-4-17(13-19(20)23)15-26-9-11-27(12-10-26)22(29)18-3-2-8-28(16-18)21-14-24-6-7-25-21/h4-7,13-14,18H,2-3,8-12,15-16H2,1H3