(5-nitrofuran-2-yl)-[6-[4-(phenylmethyl)piperazin-1-yl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone

Systemtic Name: (5-nitrofuran-2-yl)-[6-[4-(phenylmethyl)piperazin-1-yl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone Openeye Name: [6-(4-benzylpiperazin-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-(5-nitro-2-furyl)methanone CAS Name: (5-nitro-2-furanyl)-[6-[4-(phenylmethyl)-1-piperazinyl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone IUPAC Name: [6-(4-benzylpiperazin-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-(5-nitrofuran-2-yl)methanone Traditional Name: [6-(4-benzylpiperazino)-3,4-dihydro-1H-isoquinolin-2-yl]-(5-nitro-2-furyl)methanone Formula: C25H26N4O4 MolecularWeight: 446.49834

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=C(C=C2)N3CCN(CC3)CC4=CC=CC=C4)C(=O)C5=CC=C(O5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC2=C1C=C(C=C2)N3CCN(CC3)CC4=CC=CC=C4)C(=O)C5=CC=C(O5)[N+](=O)[O-]

InChI

InChI=1S/C25H26N4O4/c30-25(23-8-9-24(33-23)29(31)32)28-11-10-20-16-22(7-6-21(20)18-28)27-14-12-26(13-15-27)17-19-4-2-1-3-5-19/h1-9,16H,10-15,17-18H2