N-(2-diethylaminoethyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(3,5,5-trimethylhexanoylamino)benzamide

Systemtic Name: N-(2-diethylaminoethyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(3,5,5-trimethylhexanoylamino)benzamide Openeye Name: N-(2-diethylaminoethyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(3,5,5-trimethylhexanoylamino)benzamide CAS Name: N-(2-diethylaminoethyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(3,5,5-trimethyl-1-oxohexyl)amino]benzamide IUPAC Name: N-(2-diethylaminoethyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(3,5,5-trimethylhexanoylamino)benzamide Traditional Name: N-(2-diethylaminoethyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(3,5,5-trimethylhexanoylamino)benzamide Formula: C31H46N4O2 MolecularWeight: 506.72254

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC(=O)C1=C(C=CC(=C1)NC(=O)CC(C)CC(C)(C)C)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CCN(CC)CCNC(=O)C1=C(C=CC(=C1)NC(=O)CC(C)CC(C)(C)C)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C31H46N4O2/c1-7-34(8-2)18-16-32-30(37)27-20-26(33-29(36)19-23(3)21-31(4,5)6)13-14-28(27)35-17-15-24-11-9-10-12-25(24)22-35/h9-14,20,23H,7-8,15-19,21-22H2,1-6H3,(H,32,37)(H,33,36)