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

Systemtic Name: [4a-chloranyl-1-(2-chlorophenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-(4-nitrophenyl)methanone Openeye Name: [4a-chloro-1-(2-chlorophenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-(4-nitrophenyl)methanone CAS Name: [4a-chloro-1-(2-chlorophenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-(4-nitrophenyl)methanone IUPAC Name: [4a-chloro-1-(2-chlorophenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-(4-nitrophenyl)methanone Traditional Name: [4a-chloro-1-(2-chlorophenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-(4-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=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

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

InChI

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