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

Systemtic Name: (4-ethylphenyl)-[4-[4-nitro-3-(phenethylamino)phenyl]piperazin-1-yl]methanone Openeye Name: (4-ethylphenyl)-[4-[4-nitro-3-(phenethylamino)phenyl]piperazin-1-yl]methanone CAS Name: (4-ethylphenyl)-[4-[4-nitro-3-(phenethylamino)phenyl]-1-piperazinyl]methanone IUPAC Name: (4-ethylphenyl)-[4-[4-nitro-3-(phenethylamino)phenyl]piperazin-1-yl]methanone Traditional Name: (4-ethylphenyl)-[4-[4-nitro-3-(phenethylamino)phenyl]piperazino]methanone Formula: C27H30N4O3 MolecularWeight: 458.5521

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NCCC4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NCCC4=CC=CC=C4

InChI

InChI=1S/C27H30N4O3/c1-2-21-8-10-23(11-9-21)27(32)30-18-16-29(17-19-30)24-12-13-26(31(33)34)25(20-24)28-15-14-22-6-4-3-5-7-22/h3-13,20,28H,2,14-19H2,1H3