5-(tert-butylcarbamoylamino)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethyl-benzamide

Systemtic Name: 5-(tert-butylcarbamoylamino)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethyl-benzamide Openeye Name: 5-(tert-butylcarbamoylamino)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethyl-benzamide CAS Name: 5-[[(tert-butylamino)-oxomethyl]amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethylbenzamide IUPAC Name: 5-(tert-butylcarbamoylamino)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethylbenzamide Traditional Name: 5-(tert-butylcarbamoylamino)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethyl-benzamide Formula: C29H34N4O2 MolecularWeight: 470.60586

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)NC1=CC(=C(C=C1)N2CCC3=CC=CC=C3C2)C(=O)NCCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)NC(=O)NC1=CC(=C(C=C1)N2CCC3=CC=CC=C3C2)C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C29H34N4O2/c1-29(2,3)32-28(35)31-24-13-14-26(33-18-16-22-11-7-8-12-23(22)20-33)25(19-24)27(34)30-17-15-21-9-5-4-6-10-21/h4-14,19H,15-18,20H2,1-3H3,(H,30,34)(H2,31,32,35)