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

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(hexanoylamino)-N-(oxolan-2-ylmethyl)benzamide Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(hexanoylamino)-N-(tetrahydrofuran-2-ylmethyl)benzamide CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(1-oxohexylamino)-N-(2-oxolanylmethyl)benzamide IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(hexanoylamino)-N-(oxolan-2-ylmethyl)benzamide Traditional Name: 5-(caproylamino)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(tetrahydrofurfuryl)benzamide Formula: C27H35N3O3 MolecularWeight: 449.5851

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H35N3O3/c1-2-3-4-11-26(31)29-22-12-13-25(30-15-14-20-8-5-6-9-21(20)19-30)24(17-22)27(32)28-18-23-10-7-16-33-23/h5-6,8-9,12-13,17,23H,2-4,7,10-11,14-16,18-19H2,1H3,(H,28,32)(H,29,31)