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

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(heptanoylamino)-N-(3-methoxypropyl)benzamide Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(heptanoylamino)-N-(3-methoxypropyl)benzamide CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methoxypropyl)-5-(1-oxoheptylamino)benzamide IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(heptanoylamino)-N-(3-methoxypropyl)benzamide Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(enanthylamino)-N-(3-methoxypropyl)benzamide Formula: C27H37N3O3 MolecularWeight: 451.60098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H37N3O3/c1-3-4-5-6-12-26(31)29-23-13-14-25(24(19-23)27(32)28-16-9-18-33-2)30-17-15-21-10-7-8-11-22(21)20-30/h7-8,10-11,13-14,19H,3-6,9,12,15-18,20H2,1-2H3,(H,28,32)(H,29,31)