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

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-ethoxypropyl)-5-[(2-fluorophenyl)carbamoylamino]benzamide Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-ethoxypropyl)-5-[(2-fluorophenyl)carbamoylamino]benzamide CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-ethoxypropyl)-5-[[(2-fluoroanilino)-oxomethyl]amino]benzamide IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-ethoxypropyl)-5-[(2-fluorophenyl)carbamoylamino]benzamide Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-ethoxypropyl)-5-[(2-fluorophenyl)carbamoylamino]benzamide Formula: C28H31FN4O3 MolecularWeight: 490.569143

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC(=O)C1=C(C=CC(=C1)NC(=O)NC2=CC=CC=C2F)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CCOCCCNC(=O)C1=C(C=CC(=C1)NC(=O)NC2=CC=CC=C2F)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C28H31FN4O3/c1-2-36-17-7-15-30-27(34)23-18-22(31-28(35)32-25-11-6-5-10-24(25)29)12-13-26(23)33-16-14-20-8-3-4-9-21(20)19-33/h3-6,8-13,18H,2,7,14-17,19H2,1H3,(H,30,34)(H2,31,32,35)