2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylpropyl)-5-(3-phenylprop-2-enoylamino)benzamide

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylpropyl)-5-(3-phenylprop-2-enoylamino)benzamide Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-isobutyl-5-(3-phenylprop-2-enoylamino)benzamide CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylpropyl)-5-[(1-oxo-3-phenylprop-2-enyl)amino]benzamide IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylpropyl)-5-(3-phenylprop-2-enoylamino)benzamide Traditional Name: 5-cinnamamido-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-isobutyl-benzamide Formula: C29H31N3O2 MolecularWeight: 453.57534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=C(C=CC(=C1)NC(=O)C=CC2=CC=CC=C2)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC(C)CNC(=O)C1=C(C=CC(=C1)NC(=O)C=CC2=CC=CC=C2)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C29H31N3O2/c1-21(2)19-30-29(34)26-18-25(31-28(33)15-12-22-8-4-3-5-9-22)13-14-27(26)32-17-16-23-10-6-7-11-24(23)20-32/h3-15,18,21H,16-17,19-20H2,1-2H3,(H,30,34)(H,31,33)