N-cyclohexyl-2-(6-nitro-1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-yl)ethanamide

Systemtic Name: N-cyclohexyl-2-(6-nitro-1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-yl)ethanamide Openeye Name: N-cyclohexyl-2-(6-nitro-1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-yl)acetamide CAS Name: N-cyclohexyl-2-(6-nitro-1,3-benzodioxol-5-yl)-2-(4-phenyl-1-piperazinyl)acetamide IUPAC Name: N-cyclohexyl-2-(6-nitro-1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-yl)acetamide Traditional Name: N-cyclohexyl-2-(6-nitro-1,3-benzodioxol-5-yl)-2-(4-phenylpiperazino)acetamide Formula: C25H30N4O5 MolecularWeight: 466.5295

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C(C2=CC3=C(C=C2[N+](=O)[O-])OCO3)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)NC(=O)C(C2=CC3=C(C=C2[N+](=O)[O-])OCO3)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C25H30N4O5/c30-25(26-18-7-3-1-4-8-18)24(20-15-22-23(34-17-33-22)16-21(20)29(31)32)28-13-11-27(12-14-28)19-9-5-2-6-10-19/h2,5-6,9-10,15-16,18,24H,1,3-4,7-8,11-14,17H2,(H,26,30)