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

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-[(3-nitrophenyl)methyl]piperidin-4-yl]methanone Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-[(3-nitrophenyl)methyl]-4-piperidyl]methanone CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-[(3-nitrophenyl)methyl]-4-piperidinyl]methanone IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-[(3-nitrophenyl)methyl]piperidin-4-yl]methanone Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-(3-nitrobenzyl)-4-piperidyl]methanone Formula: C22H25N3O3 MolecularWeight: 379.4522

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CCC3=CC=CC=C3C2)CC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)N2CCC3=CC=CC=C3C2)CC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O3/c26-22(24-13-10-18-5-1-2-6-20(18)16-24)19-8-11-23(12-9-19)15-17-4-3-7-21(14-17)25(27)28/h1-7,14,19H,8-13,15-16H2