5-[2,2-bis(chloranyl)ethanoylamino]-N-butan-2-yl-2-(3,4-dihydro-1H-isoquinolin-2-yl)benzamide

Systemtic Name: 5-[2,2-bis(chloranyl)ethanoylamino]-N-butan-2-yl-2-(3,4-dihydro-1H-isoquinolin-2-yl)benzamide Openeye Name: 5-[(2,2-dichloroacetyl)amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-sec-butyl-benzamide CAS Name: N-butan-2-yl-5-[(2,2-dichloro-1-oxoethyl)amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)benzamide IUPAC Name: N-butan-2-yl-5-[(2,2-dichloroacetyl)amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)benzamide Traditional Name: 5-[(2,2-dichloroacetyl)amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-sec-butyl-benzamide Formula: C22H25Cl2N3O2 MolecularWeight: 434.3588

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)C(Cl)Cl)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CCC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)C(Cl)Cl)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C22H25Cl2N3O2/c1-3-14(2)25-21(28)18-12-17(26-22(29)20(23)24)8-9-19(18)27-11-10-15-6-4-5-7-16(15)13-27/h4-9,12,14,20H,3,10-11,13H2,1-2H3,(H,25,28)(H,26,29)