6-azanyl-4-[[4-(diphenylmethyl)piperazin-1-yl]methyl]-2-[4-(hydroxymethyl)-6-methyl-5-oxidanyl-pyridin-3-yl]hex-1-en-3-one

Systemtic Name: 6-azanyl-4-[[4-(diphenylmethyl)piperazin-1-yl]methyl]-2-[4-(hydroxymethyl)-6-methyl-5-oxidanyl-pyridin-3-yl]hex-1-en-3-one Openeye Name: 6-amino-4-[(4-benzhydrylpiperazin-1-yl)methyl]-2-[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridyl]hex-1-en-3-one CAS Name: 6-amino-4-[[4-(diphenylmethyl)-1-piperazinyl]methyl]-2-[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]-1-hexen-3-one IUPAC Name: 6-amino-4-[(4-benzhydrylpiperazin-1-yl)methyl]-2-[5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]hex-1-en-3-one Traditional Name: 6-amino-4-[(4-benzhydrylpiperazino)methyl]-2-(5-hydroxy-6-methyl-4-methylol-3-pyridyl)hex-1-en-3-one Formula: C31H38N4O3 MolecularWeight: 514.65842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1O)CO)C(=C)C(=O)C(CCN)CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=NC=C(C(=C1O)CO)C(=C)C(=O)C(CCN)CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C31H38N4O3/c1-22(27-19-33-23(2)31(38)28(27)21-36)30(37)26(13-14-32)20-34-15-17-35(18-16-34)29(24-9-5-3-6-10-24)25-11-7-4-8-12-25/h3-12,19,26,29,36,38H,1,13-18,20-21,32H2,2H3