1-[3-nitro-4-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]phenyl]ethanone

Systemtic Name: 1-[3-nitro-4-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-[(4-isopropylphenyl)methyl]piperazin-1-yl]-3-nitro-phenyl]ethanone CAS Name: 1-[3-nitro-4-[4-[(4-propan-2-ylphenyl)methyl]-1-piperazinyl]phenyl]ethanone IUPAC Name: 1-[3-nitro-4-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-(4-isopropylbenzyl)piperazino]-3-nitro-phenyl]ethanone Formula: C22H27N3O3 MolecularWeight: 381.46808

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CN2CCN(CC2)C3=C(C=C(C=C3)C(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CN2CCN(CC2)C3=C(C=C(C=C3)C(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C22H27N3O3/c1-16(2)19-6-4-18(5-7-19)15-23-10-12-24(13-11-23)21-9-8-20(17(3)26)14-22(21)25(27)28/h4-9,14,16H,10-13,15H2,1-3H3