7-nitro-2-(4-phenethylpiperazin-1-yl)-3,4-dihydro-2H-naphthalen-1-one

Systemtic Name: 7-nitro-2-(4-phenethylpiperazin-1-yl)-3,4-dihydro-2H-naphthalen-1-one Openeye Name: 7-nitro-2-(4-phenethylpiperazin-1-yl)tetralin-1-one CAS Name: 7-nitro-2-(4-phenethyl-1-piperazinyl)-3,4-dihydro-2H-naphthalen-1-one IUPAC Name: 7-nitro-2-(4-phenethylpiperazin-1-yl)-3,4-dihydro-2H-naphthalen-1-one Traditional Name: 7-nitro-2-(4-phenethylpiperazino)tetralin-1-one Formula: C22H25N3O3 MolecularWeight: 379.4522

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)C1N3CCN(CC3)CCC4=CC=CC=C4

Isomeric SMILES

C1CC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)C1N3CCN(CC3)CCC4=CC=CC=C4

InChI

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