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

Systemtic Name: 5-(2-chloranylpropanoylamino)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(oxolan-2-ylmethyl)benzamide Openeye Name: 5-(2-chloropropanoylamino)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(tetrahydrofuran-2-ylmethyl)benzamide CAS Name: 5-[(2-chloro-1-oxopropyl)amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-oxolanylmethyl)benzamide IUPAC Name: 5-(2-chloropropanoylamino)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(oxolan-2-ylmethyl)benzamide Traditional Name: 5-(2-chloropropanoylamino)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(tetrahydrofurfuryl)benzamide Formula: C24H28ClN3O3 MolecularWeight: 441.95042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28ClN3O3/c1-16(25)23(29)27-19-8-9-22(28-11-10-17-5-2-3-6-18(17)15-28)21(13-19)24(30)26-14-20-7-4-12-31-20/h2-3,5-6,8-9,13,16,20H,4,7,10-12,14-15H2,1H3,(H,26,30)(H,27,29)