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

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-(2,4-dinitrophenyl)piperidin-4-yl]methanone Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-(2,4-dinitrophenyl)-4-piperidyl]methanone CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-(2,4-dinitrophenyl)-4-piperidinyl]methanone IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-(2,4-dinitrophenyl)piperidin-4-yl]methanone Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-(2,4-dinitrophenyl)-4-piperidyl]methanone Formula: C21H22N4O5 MolecularWeight: 410.42318

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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-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O5/c26-21(23-12-7-15-3-1-2-4-17(15)14-23)16-8-10-22(11-9-16)19-6-5-18(24(27)28)13-20(19)25(29)30/h1-6,13,16H,7-12,14H2