(4-tert-butylphenyl)-[4-[4-nitro-3-(phenethylamino)phenyl]piperazin-1-yl]methanone

Systemtic Name: (4-tert-butylphenyl)-[4-[4-nitro-3-(phenethylamino)phenyl]piperazin-1-yl]methanone Openeye Name: (4-tert-butylphenyl)-[4-[4-nitro-3-(phenethylamino)phenyl]piperazin-1-yl]methanone CAS Name: (4-tert-butylphenyl)-[4-[4-nitro-3-(phenethylamino)phenyl]-1-piperazinyl]methanone IUPAC Name: (4-tert-butylphenyl)-[4-[4-nitro-3-(phenethylamino)phenyl]piperazin-1-yl]methanone Traditional Name: (4-tert-butylphenyl)-[4-[4-nitro-3-(phenethylamino)phenyl]piperazino]methanone Formula: C29H34N4O3 MolecularWeight: 486.60526

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NCCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NCCC4=CC=CC=C4

InChI

InChI=1S/C29H34N4O3/c1-29(2,3)24-11-9-23(10-12-24)28(34)32-19-17-31(18-20-32)25-13-14-27(33(35)36)26(21-25)30-16-15-22-7-5-4-6-8-22/h4-14,21,30H,15-20H2,1-3H3