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

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(4-hexylphenyl)carbonylamino]-N-(2-methylpropyl)benzamide Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(4-hexylbenzoyl)amino]-N-isobutyl-benzamide CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[[(4-hexylphenyl)-oxomethyl]amino]-N-(2-methylpropyl)benzamide IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(4-hexylbenzoyl)amino]-N-(2-methylpropyl)benzamide Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(4-hexylbenzoyl)amino]-N-isobutyl-benzamide Formula: C33H41N3O2 MolecularWeight: 511.69754

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)N3CCC4=CC=CC=C4C3)C(=O)NCC(C)C

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)N3CCC4=CC=CC=C4C3)C(=O)NCC(C)C

InChI

InChI=1S/C33H41N3O2/c1-4-5-6-7-10-25-13-15-27(16-14-25)32(37)35-29-17-18-31(30(21-29)33(38)34-22-24(2)3)36-20-19-26-11-8-9-12-28(26)23-36/h8-9,11-18,21,24H,4-7,10,19-20,22-23H2,1-3H3,(H,34,38)(H,35,37)