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

Systemtic Name: 5-[2,2-bis(chloranyl)ethanoylamino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethyl-benzamide Openeye Name: 5-[(2,2-dichloroacetyl)amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethyl-benzamide CAS Name: 5-[(2,2-dichloro-1-oxoethyl)amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethylbenzamide IUPAC Name: 5-[(2,2-dichloroacetyl)amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethylbenzamide Traditional Name: 5-[(2,2-dichloroacetyl)amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethyl-benzamide Formula: C26H25Cl2N3O2 MolecularWeight: 482.4016

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=C(C=C(C=C3)NC(=O)C(Cl)Cl)C(=O)NCCC4=CC=CC=C4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=C(C=C(C=C3)NC(=O)C(Cl)Cl)C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C26H25Cl2N3O2/c27-24(28)26(33)30-21-10-11-23(31-15-13-19-8-4-5-9-20(19)17-31)22(16-21)25(32)29-14-12-18-6-2-1-3-7-18/h1-11,16,24H,12-15,17H2,(H,29,32)(H,30,33)