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

Systemtic Name: (3,4-dimethoxyphenyl)-[4-[4-nitro-3-(phenethylamino)phenyl]piperazin-1-yl]methanone Openeye Name: (3,4-dimethoxyphenyl)-[4-[4-nitro-3-(phenethylamino)phenyl]piperazin-1-yl]methanone CAS Name: (3,4-dimethoxyphenyl)-[4-[4-nitro-3-(phenethylamino)phenyl]-1-piperazinyl]methanone IUPAC Name: (3,4-dimethoxyphenyl)-[4-[4-nitro-3-(phenethylamino)phenyl]piperazin-1-yl]methanone Traditional Name: (3,4-dimethoxyphenyl)-[4-[4-nitro-3-(phenethylamino)phenyl]piperazino]methanone Formula: C27H30N4O5 MolecularWeight: 490.5509

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NCCC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NCCC4=CC=CC=C4)OC

InChI

InChI=1S/C27H30N4O5/c1-35-25-11-8-21(18-26(25)36-2)27(32)30-16-14-29(15-17-30)22-9-10-24(31(33)34)23(19-22)28-13-12-20-6-4-3-5-7-20/h3-11,18-19,28H,12-17H2,1-2H3