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

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-ethoxypropyl)-5-[(2-methylphenyl)carbamoylamino]benzamide Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-ethoxypropyl)-5-(o-tolylcarbamoylamino)benzamide CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-ethoxypropyl)-5-[[(2-methylanilino)-oxomethyl]amino]benzamide IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-ethoxypropyl)-5-[(2-methylphenyl)carbamoylamino]benzamide Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-ethoxypropyl)-5-(o-tolylcarbamoylamino)benzamide Formula: C29H34N4O3 MolecularWeight: 486.60526

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC(=O)C1=C(C=CC(=C1)NC(=O)NC2=CC=CC=C2C)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CCOCCCNC(=O)C1=C(C=CC(=C1)NC(=O)NC2=CC=CC=C2C)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C29H34N4O3/c1-3-36-18-8-16-30-28(34)25-19-24(31-29(35)32-26-12-7-4-9-21(26)2)13-14-27(25)33-17-15-22-10-5-6-11-23(22)20-33/h4-7,9-14,19H,3,8,15-18,20H2,1-2H3,(H,30,34)(H2,31,32,35)