2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(2-ethylhexanoylamino)-N-(oxolan-2-ylmethyl)benzamide

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(2-ethylhexanoylamino)-N-(oxolan-2-ylmethyl)benzamide Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(2-ethylhexanoylamino)-N-(tetrahydrofuran-2-ylmethyl)benzamide CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(2-ethyl-1-oxohexyl)amino]-N-(2-oxolanylmethyl)benzamide IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(2-ethylhexanoylamino)-N-(oxolan-2-ylmethyl)benzamide Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(2-ethylhexanoylamino)-N-(tetrahydrofurfuryl)benzamide Formula: C29H39N3O3 MolecularWeight: 477.63826

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)NC1=CC(=C(C=C1)N2CCC3=CC=CC=C3C2)C(=O)NCC4CCCO4

Isomeric SMILES

CCCCC(CC)C(=O)NC1=CC(=C(C=C1)N2CCC3=CC=CC=C3C2)C(=O)NCC4CCCO4

InChI

InChI=1S/C29H39N3O3/c1-3-5-9-21(4-2)28(33)31-24-13-14-27(32-16-15-22-10-6-7-11-23(22)20-32)26(18-24)29(34)30-19-25-12-8-17-35-25/h6-7,10-11,13-14,18,21,25H,3-5,8-9,12,15-17,19-20H2,1-2H3,(H,30,34)(H,31,33)