3-[[4-[(2-methyl-5-phenyl-pyrrol-1-yl)methyl]-4-oxidanyl-piperidin-1-yl]methyl]-1H-pyrazin-2-one

Systemtic Name: 3-[[4-[(2-methyl-5-phenyl-pyrrol-1-yl)methyl]-4-oxidanyl-piperidin-1-yl]methyl]-1H-pyrazin-2-one Openeye Name: 3-[[4-hydroxy-4-[(2-methyl-5-phenyl-pyrrol-1-yl)methyl]-1-piperidyl]methyl]-1H-pyrazin-2-one CAS Name: 3-[[4-hydroxy-4-[(2-methyl-5-phenyl-1-pyrrolyl)methyl]-1-piperidinyl]methyl]-1H-pyrazin-2-one IUPAC Name: 3-[[4-hydroxy-4-[(2-methyl-5-phenylpyrrol-1-yl)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one Traditional Name: 3-[[4-hydroxy-4-[(2-methyl-5-phenyl-pyrrol-1-yl)methyl]piperidino]methyl]-1H-pyrazin-2-one Formula: C22H26N4O2 MolecularWeight: 378.46744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1CC2(CCN(CC2)CC3=NC=CNC3=O)O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(N1CC2(CCN(CC2)CC3=NC=CNC3=O)O)C4=CC=CC=C4

InChI

InChI=1S/C22H26N4O2/c1-17-7-8-20(18-5-3-2-4-6-18)26(17)16-22(28)9-13-25(14-10-22)15-19-21(27)24-12-11-23-19/h2-8,11-12,28H,9-10,13-16H2,1H3,(H,24,27)