2-chloranyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-dimethylaminophenyl)ethyl]-4-nitro-benzamide

Systemtic Name: 2-chloranyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-dimethylaminophenyl)ethyl]-4-nitro-benzamide Openeye Name: 2-chloro-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-dimethylaminophenyl)ethyl]-4-nitro-benzamide CAS Name: 2-chloro-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-dimethylaminophenyl)ethyl]-4-nitrobenzamide IUPAC Name: 2-chloro-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-dimethylaminophenyl)ethyl]-4-nitrobenzamide Traditional Name: 2-chloro-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-dimethylaminophenyl)ethyl]-4-nitro-benzamide Formula: C26H27ClN4O3 MolecularWeight: 478.97058

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(CNC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(CNC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C26H27ClN4O3/c1-29(2)21-9-7-19(8-10-21)25(30-14-13-18-5-3-4-6-20(18)17-30)16-28-26(32)23-12-11-22(31(33)34)15-24(23)27/h3-12,15,25H,13-14,16-17H2,1-2H3,(H,28,32)