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

Systemtic Name: (6E)-6-[6-azanyl-5-(hydroxymethyl)-4-piperidin-4-yl-1H-pyridin-2-ylidene]-5-(4-methylpentoxy)cyclohexa-2,4-dien-1-one Openeye Name: (6E)-6-[6-amino-5-(hydroxymethyl)-4-(4-piperidyl)-1H-pyridin-2-ylidene]-5-isohexyloxy-cyclohexa-2,4-dien-1-one CAS Name: (6E)-6-[6-amino-5-(hydroxymethyl)-4-(4-piperidinyl)-1H-pyridin-2-ylidene]-5-(4-methylpentoxy)-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-6-[6-amino-5-(hydroxymethyl)-4-piperidin-4-yl-1H-pyridin-2-ylidene]-5-(4-methylpentoxy)cyclohexa-2,4-dien-1-one Traditional Name: (6E)-6-[6-amino-5-methylol-4-(4-piperidyl)-1H-pyridin-2-ylidene]-5-isohexyloxy-cyclohexa-2,4-dien-1-one Formula: C23H33N3O3 MolecularWeight: 399.52642

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCOC1=CC=CC(=O)C1=C2C=C(C(=C(N2)N)CO)C3CCNCC3

Isomeric SMILES

CC(C)CCCOC\1=CC=CC(=O)/C1=C/2\C=C(C(=C(N2)N)CO)C3CCNCC3

InChI

InChI=1S/C23H33N3O3/c1-15(2)5-4-12-29-21-7-3-6-20(28)22(21)19-13-17(16-8-10-25-11-9-16)18(14-27)23(24)26-19/h3,6-7,13,15-16,25-27H,4-5,8-12,14,24H2,1-2H3/b22-19-