(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one

Systemtic Name: (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one Openeye Name: (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one CAS Name: (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(4-nitrophenyl)-1-piperazinyl]-1-propanone IUPAC Name: (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one Traditional Name: (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(4-nitrophenyl)piperazino]propan-1-one Formula: C22H26N4O3 MolecularWeight: 394.46684

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC2=CC=CC=C2C1)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)N1CCC2=CC=CC=C2C1)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H26N4O3/c1-17(22(27)25-11-10-18-4-2-3-5-19(18)16-25)23-12-14-24(15-13-23)20-6-8-21(9-7-20)26(28)29/h2-9,17H,10-16H2,1H3/t17-/m1/s1