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

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

CCCCC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)N3CCC4=CC=CC=C4C3)C(=O)NCCC5=CC=CC=C5

Isomeric SMILES

CCCCC1=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/c1-2-3-9-27-14-16-29(17-15-27)34(39)37-31-18-19-33(38-23-21-28-12-7-8-13-30(28)25-38)32(24-31)35(40)36-22-20-26-10-5-4-6-11-26/h4-8,10-19,24H,2-3,9,20-23,25H2,1H3,(H,36,40)(H,37,39)