3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-methoxy-5-nitro-phenyl)carbonylpiperidin-4-yl]methanone

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-methoxy-5-nitro-phenyl)carbonylpiperidin-4-yl]methanone Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-methoxy-5-nitro-benzoyl)-4-piperidyl]methanone CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-[(2-methoxy-5-nitrophenyl)-oxomethyl]-4-piperidinyl]methanone IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-methoxy-5-nitrobenzoyl)piperidin-4-yl]methanone Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-methoxy-5-nitro-benzoyl)-4-piperidyl]methanone Formula: C23H25N3O5 MolecularWeight: 423.4617

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)N2CCC(CC2)C(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)N2CCC(CC2)C(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C23H25N3O5/c1-31-21-7-6-19(26(29)30)14-20(21)23(28)24-11-9-17(10-12-24)22(27)25-13-8-16-4-2-3-5-18(16)15-25/h2-7,14,17H,8-13,15H2,1H3