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

Systemtic Name: 5-(4-chloranylbutanoylamino)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(oxolan-2-ylmethyl)benzamide Openeye Name: 5-(4-chlorobutanoylamino)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(tetrahydrofuran-2-ylmethyl)benzamide CAS Name: 5-[(4-chloro-1-oxobutyl)amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-oxolanylmethyl)benzamide IUPAC Name: 5-(4-chlorobutanoylamino)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(oxolan-2-ylmethyl)benzamide Traditional Name: 5-(4-chlorobutanoylamino)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(tetrahydrofurfuryl)benzamide Formula: C25H30ClN3O3 MolecularWeight: 455.977

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=O)C2=C(C=CC(=C2)NC(=O)CCCCl)N3CCC4=CC=CC=C4C3

Isomeric SMILES

C1CC(OC1)CNC(=O)C2=C(C=CC(=C2)NC(=O)CCCCl)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C25H30ClN3O3/c26-12-3-8-24(30)28-20-9-10-23(29-13-11-18-5-1-2-6-19(18)17-29)22(15-20)25(31)27-16-21-7-4-14-32-21/h1-2,5-6,9-10,15,21H,3-4,7-8,11-14,16-17H2,(H,27,31)(H,28,30)