3-cyclopentyl-1-[4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-4-nitro-phenyl]piperazin-1-yl]propan-1-one

Systemtic Name: 3-cyclopentyl-1-[4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-4-nitro-phenyl]piperazin-1-yl]propan-1-one Openeye Name: 3-cyclopentyl-1-[4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-4-nitro-phenyl]piperazin-1-yl]propan-1-one CAS Name: 3-cyclopentyl-1-[4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-4-nitrophenyl]-1-piperazinyl]-1-propanone IUPAC Name: 3-cyclopentyl-1-[4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-4-nitrophenyl]piperazin-1-yl]propan-1-one Traditional Name: 3-cyclopentyl-1-[4-[3-(homoveratrylamino)-4-nitro-phenyl]piperazino]propan-1-one Formula: C28H38N4O5 MolecularWeight: 510.62512

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=C(C=CC(=C2)N3CCN(CC3)C(=O)CCC4CCCC4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=C(C=CC(=C2)N3CCN(CC3)C(=O)CCC4CCCC4)[N+](=O)[O-])OC

InChI

InChI=1S/C28H38N4O5/c1-36-26-11-7-22(19-27(26)37-2)13-14-29-24-20-23(9-10-25(24)32(34)35)30-15-17-31(18-16-30)28(33)12-8-21-5-3-4-6-21/h7,9-11,19-21,29H,3-6,8,12-18H2,1-2H3