5-[(4-tert-butylphenyl)carbonylamino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethyl-benzamide

Systemtic Name: 5-[(4-tert-butylphenyl)carbonylamino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethyl-benzamide Openeye Name: 5-[(4-tert-butylbenzoyl)amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethyl-benzamide CAS Name: 5-[[(4-tert-butylphenyl)-oxomethyl]amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethylbenzamide IUPAC Name: 5-[(4-tert-butylbenzoyl)amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethylbenzamide Traditional Name: 5-[(4-tert-butylbenzoyl)amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethyl-benzamide Formula: C35H37N3O2 MolecularWeight: 531.68718

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)N3CCC4=CC=CC=C4C3)C(=O)NCCC5=CC=CC=C5

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)N3CCC4=CC=CC=C4C3)C(=O)NCCC5=CC=CC=C5

InChI

InChI=1S/C35H37N3O2/c1-35(2,3)29-15-13-27(14-16-29)33(39)37-30-17-18-32(38-22-20-26-11-7-8-12-28(26)24-38)31(23-30)34(40)36-21-19-25-9-5-4-6-10-25/h4-18,23H,19-22,24H2,1-3H3,(H,36,40)(H,37,39)