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

Systemtic Name: 5-(butanoylamino)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(oxolan-2-ylmethyl)benzamide Openeye Name: 5-(butanoylamino)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(tetrahydrofuran-2-ylmethyl)benzamide CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(1-oxobutylamino)-N-(2-oxolanylmethyl)benzamide IUPAC Name: 5-(butanoylamino)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(oxolan-2-ylmethyl)benzamide Traditional Name: 5-butyramido-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(tetrahydrofurfuryl)benzamide Formula: C25H31N3O3 MolecularWeight: 421.53194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O3/c1-2-6-24(29)27-20-10-11-23(28-13-12-18-7-3-4-8-19(18)17-28)22(15-20)25(30)26-16-21-9-5-14-31-21/h3-4,7-8,10-11,15,21H,2,5-6,9,12-14,16-17H2,1H3,(H,26,30)(H,27,29)