2-[[1-(2-chloranyl-5-nitro-phenyl)-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy]-N,N-diethyl-ethanamine

Systemtic Name: 2-[[1-(2-chloranyl-5-nitro-phenyl)-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy]-N,N-diethyl-ethanamine Openeye Name: 2-[[1-(2-chloro-5-nitro-phenyl)-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy]-N,N-diethyl-ethanamine CAS Name: 2-[[1-(2-chloro-5-nitrophenyl)-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy]-N,N-diethylethanamine IUPAC Name: 2-[[1-(2-chloro-5-nitrophenyl)-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy]-N,N-diethylethanamine Traditional Name: 2-[[1-(2-chloro-5-nitro-phenyl)-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy]ethyl-diethyl-amine Formula: C22H28ClN3O4 MolecularWeight: 433.92842

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC1=C(C=C2CCNC(C2=C1)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)OC

Isomeric SMILES

CCN(CC)CCOC1=C(C=C2CCNC(C2=C1)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)OC

InChI

InChI=1S/C22H28ClN3O4/c1-4-25(5-2)10-11-30-21-14-17-15(12-20(21)29-3)8-9-24-22(17)18-13-16(26(27)28)6-7-19(18)23/h6-7,12-14,22,24H,4-5,8-11H2,1-3H3