[4-[2-(3,4-dihydro-2H-chromen-4-yl)ethyl]piperazin-1-yl]-(4-nitrophenyl)methanone

Systemtic Name: [4-[2-(3,4-dihydro-2H-chromen-4-yl)ethyl]piperazin-1-yl]-(4-nitrophenyl)methanone Openeye Name: [4-(2-chroman-4-ylethyl)piperazin-1-yl]-(4-nitrophenyl)methanone CAS Name: [4-[2-(3,4-dihydro-2H-1-benzopyran-4-yl)ethyl]-1-piperazinyl]-(4-nitrophenyl)methanone IUPAC Name: [4-[2-(3,4-dihydro-2H-chromen-4-yl)ethyl]piperazin-1-yl]-(4-nitrophenyl)methanone Traditional Name: [4-(2-chroman-4-ylethyl)piperazino]-(4-nitrophenyl)methanone Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=CC=CC=C2C1CCN3CCN(CC3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1COC2=CC=CC=C2C1CCN3CCN(CC3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O4/c26-22(18-5-7-19(8-6-18)25(27)28)24-14-12-23(13-15-24)11-9-17-10-16-29-21-4-2-1-3-20(17)21/h1-8,17H,9-16H2