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

Systemtic Name: (6E)-6-[6-azanyl-5-(hydroxymethyl)-4-piperidin-3-yl-1H-pyridin-2-ylidene]-5-(cyclopropylmethoxy)cyclohexa-2,4-dien-1-one Openeye Name: (6E)-6-[6-amino-5-(hydroxymethyl)-4-(3-piperidyl)-1H-pyridin-2-ylidene]-5-(cyclopropylmethoxy)cyclohexa-2,4-dien-1-one CAS Name: (6E)-6-[6-amino-5-(hydroxymethyl)-4-(3-piperidinyl)-1H-pyridin-2-ylidene]-5-(cyclopropylmethoxy)-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-6-[6-amino-5-(hydroxymethyl)-4-piperidin-3-yl-1H-pyridin-2-ylidene]-5-(cyclopropylmethoxy)cyclohexa-2,4-dien-1-one Traditional Name: (6E)-6-[6-amino-5-methylol-4-(3-piperidyl)-1H-pyridin-2-ylidene]-5-(cyclopropylmethoxy)cyclohexa-2,4-dien-1-one Formula: C21H27N3O3 MolecularWeight: 369.45738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CNC1)C2=CC(=C3C(=O)C=CC=C3OCC4CC4)NC(=C2CO)N

Isomeric SMILES

C1CC(CNC1)C2=C/C(=C/3\C(=O)C=CC=C3OCC4CC4)/NC(=C2CO)N

InChI

InChI=1S/C21H27N3O3/c22-21-16(11-25)15(14-3-2-8-23-10-14)9-17(24-21)20-18(26)4-1-5-19(20)27-12-13-6-7-13/h1,4-5,9,13-14,23-25H,2-3,6-8,10-12,22H2/b20-17-