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

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-[2-nitro-4-(phenylcarbonyl)phenyl]piperidin-4-yl]methanone Openeye Name: [1-(4-benzoyl-2-nitro-phenyl)-4-piperidyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone CAS Name: [1-(4-benzoyl-2-nitrophenyl)-4-piperidinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone IUPAC Name: [1-(4-benzoyl-2-nitrophenyl)piperidin-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Traditional Name: [1-(4-benzoyl-2-nitro-phenyl)-4-piperidyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Formula: C28H27N3O4 MolecularWeight: 469.53168

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CCC3=CC=CC=C3C2)C4=C(C=C(C=C4)C(=O)C5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)N2CCC3=CC=CC=C3C2)C4=C(C=C(C=C4)C(=O)C5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C28H27N3O4/c32-27(21-7-2-1-3-8-21)23-10-11-25(26(18-23)31(34)35)29-15-13-22(14-16-29)28(33)30-17-12-20-6-4-5-9-24(20)19-30/h1-11,18,22H,12-17,19H2