[4a-chloranyl-1-(2-chlorophenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-(3-nitrophenyl)methanone

Systemtic Name: [4a-chloranyl-1-(2-chlorophenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-(3-nitrophenyl)methanone Openeye Name: [4a-chloro-1-(2-chlorophenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-(3-nitrophenyl)methanone CAS Name: [4a-chloro-1-(2-chlorophenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-(3-nitrophenyl)methanone IUPAC Name: [4a-chloro-1-(2-chlorophenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-(3-nitrophenyl)methanone Traditional Name: [4a-chloro-1-(2-chlorophenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-(3-nitrophenyl)methanone Formula: C22H22Cl2N2O3 MolecularWeight: 433.32768

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CCN(C(C2C1)C3=CC=CC=C3Cl)C(=O)C4=CC(=CC=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1CCC2(CCN(C(C2C1)C3=CC=CC=C3Cl)C(=O)C4=CC(=CC=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C22H22Cl2N2O3/c23-19-10-2-1-8-17(19)20-18-9-3-4-11-22(18,24)12-13-25(20)21(27)15-6-5-7-16(14-15)26(28)29/h1-2,5-8,10,14,18,20H,3-4,9,11-13H2