2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-ethoxypropyl)-5-[(4-fluorophenyl)carbonylamino]benzamide

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-ethoxypropyl)-5-[(4-fluorophenyl)carbonylamino]benzamide Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-ethoxypropyl)-5-[(4-fluorobenzoyl)amino]benzamide CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-ethoxypropyl)-5-[[(4-fluorophenyl)-oxomethyl]amino]benzamide IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-ethoxypropyl)-5-[(4-fluorobenzoyl)amino]benzamide Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-ethoxypropyl)-5-[(4-fluorobenzoyl)amino]benzamide Formula: C28H30FN3O3 MolecularWeight: 475.554503

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC(=O)C1=C(C=CC(=C1)NC(=O)C2=CC=C(C=C2)F)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CCOCCCNC(=O)C1=C(C=CC(=C1)NC(=O)C2=CC=C(C=C2)F)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C28H30FN3O3/c1-2-35-17-5-15-30-28(34)25-18-24(31-27(33)21-8-10-23(29)11-9-21)12-13-26(25)32-16-14-20-6-3-4-7-22(20)19-32/h3-4,6-13,18H,2,5,14-17,19H2,1H3,(H,30,34)(H,31,33)