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

Systemtic Name: 4-chloranyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-dimethylaminophenyl)ethyl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-dimethylaminophenyl)ethyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-dimethylaminophenyl)ethyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-dimethylaminophenyl)ethyl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-dimethylaminophenyl)ethyl]-3-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=CC(=C(C=C2)Cl)[N+](=O)[O-])N3CCC4=CC=CC=C4C3

Isomeric SMILES

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

InChI

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