(6E)-6-[6-azanyl-5-(hydroxymethyl)-4-piperidin-3-yl-1H-pyridin-2-ylidene]-5-phenylmethoxy-cyclohexa-2,4-dien-1-one

Systemtic Name: (6E)-6-[6-azanyl-5-(hydroxymethyl)-4-piperidin-3-yl-1H-pyridin-2-ylidene]-5-phenylmethoxy-cyclohexa-2,4-dien-1-one Openeye Name: (6E)-6-[6-amino-5-(hydroxymethyl)-4-(3-piperidyl)-1H-pyridin-2-ylidene]-5-benzyloxy-cyclohexa-2,4-dien-1-one CAS Name: (6E)-6-[6-amino-5-(hydroxymethyl)-4-(3-piperidinyl)-1H-pyridin-2-ylidene]-5-phenylmethoxy-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-6-[6-amino-5-(hydroxymethyl)-4-piperidin-3-yl-1H-pyridin-2-ylidene]-5-phenylmethoxycyclohexa-2,4-dien-1-one Traditional Name: (6E)-6-[6-amino-5-methylol-4-(3-piperidyl)-1H-pyridin-2-ylidene]-5-benzoxy-cyclohexa-2,4-dien-1-one Formula: C24H27N3O3 MolecularWeight: 405.48948

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CNC1)C2=CC(=C3C(=O)C=CC=C3OCC4=CC=CC=C4)NC(=C2CO)N

Isomeric SMILES

C1CC(CNC1)C2=C/C(=C/3\C(=O)C=CC=C3OCC4=CC=CC=C4)/NC(=C2CO)N

InChI

InChI=1S/C24H27N3O3/c25-24-19(14-28)18(17-8-5-11-26-13-17)12-20(27-24)23-21(29)9-4-10-22(23)30-15-16-6-2-1-3-7-16/h1-4,6-7,9-10,12,17,26-28H,5,8,11,13-15,25H2/b23-20-