(2E)-2-[cyclohexa-1,5-dien-1-yl(1H-isoquinolin-2-yl)methylidene]hexanamide

Systemtic Name: (2E)-2-[cyclohexa-1,5-dien-1-yl(1H-isoquinolin-2-yl)methylidene]hexanamide Openeye Name: (2E)-2-[cyclohexa-1,5-dien-1-yl(1H-isoquinolin-2-yl)methylene]hexanamide CAS Name: (2E)-2-[1-cyclohexa-1,5-dienyl(1H-isoquinolin-2-yl)methylidene]hexanamide IUPAC Name: (2E)-2-[cyclohexa-1,5-dien-1-yl(1H-isoquinolin-2-yl)methylidene]hexanamide Traditional Name: (E)-2-butyl-3-cyclohexa-1,5-dien-1-yl-3-(1H-isoquinolin-2-yl)acrylamide Formula: C22H26N2O MolecularWeight: 334.45464

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=C(C1=CCCC=C1)N2CC3=CC=CC=C3C=C2)C(=O)N

Isomeric SMILES

CCCC/C(=C(/C1=CCCC=C1)\N2CC3=CC=CC=C3C=C2)/C(=O)N

InChI

InChI=1S/C22H26N2O/c1-2-3-13-20(22(23)25)21(18-10-5-4-6-11-18)24-15-14-17-9-7-8-12-19(17)16-24/h5,7-12,14-15H,2-4,6,13,16H2,1H3,(H2,23,25)/b21-20+