[1-(2-chloranyl-4-nitro-phenyl)piperidin-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone

Systemtic Name: [1-(2-chloranyl-4-nitro-phenyl)piperidin-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Openeye Name: [1-(2-chloro-4-nitro-phenyl)-4-piperidyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone CAS Name: [1-(2-chloro-4-nitrophenyl)-4-piperidinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone IUPAC Name: [1-(2-chloro-4-nitrophenyl)piperidin-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Traditional Name: [1-(2-chloro-4-nitro-phenyl)-4-piperidyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Formula: C21H22ClN3O3 MolecularWeight: 399.87068

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CCC3=CC=CC=C3C2)C4=C(C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1CN(CCC1C(=O)N2CCC3=CC=CC=C3C2)C4=C(C=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H22ClN3O3/c22-19-13-18(25(27)28)5-6-20(19)23-10-8-16(9-11-23)21(26)24-12-7-15-3-1-2-4-17(15)14-24/h1-6,13,16H,7-12,14H2