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

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(heptanoylamino)-N-(oxolan-2-ylmethyl)benzamide Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(heptanoylamino)-N-(tetrahydrofuran-2-ylmethyl)benzamide CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(1-oxoheptylamino)-N-(2-oxolanylmethyl)benzamide IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(heptanoylamino)-N-(oxolan-2-ylmethyl)benzamide Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(enanthylamino)-N-(tetrahydrofurfuryl)benzamide Formula: C28H37N3O3 MolecularWeight: 463.61168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H37N3O3/c1-2-3-4-5-12-27(32)30-23-13-14-26(31-16-15-21-9-6-7-10-22(21)20-31)25(18-23)28(33)29-19-24-11-8-17-34-24/h6-7,9-10,13-14,18,24H,2-5,8,11-12,15-17,19-20H2,1H3,(H,29,33)(H,30,32)