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

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-ethoxypropyl)-5-[(phenylmethyl)carbamoylamino]benzamide Openeye Name: 5-(benzylcarbamoylamino)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-ethoxypropyl)benzamide CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-ethoxypropyl)-5-[[oxo-[(phenylmethyl)amino]methyl]amino]benzamide IUPAC Name: 5-(benzylcarbamoylamino)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-ethoxypropyl)benzamide Traditional Name: 5-(benzylcarbamoylamino)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-ethoxypropyl)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)NCC2=CC=CC=C2)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CCOCCCNC(=O)C1=C(C=CC(=C1)NC(=O)NCC2=CC=CC=C2)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C29H34N4O3/c1-2-36-18-8-16-30-28(34)26-19-25(32-29(35)31-20-22-9-4-3-5-10-22)13-14-27(26)33-17-15-23-11-6-7-12-24(23)21-33/h3-7,9-14,19H,2,8,15-18,20-21H2,1H3,(H,30,34)(H2,31,32,35)