1-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-nitro-phenyl]-N-(4-methoxyphenyl)methanimine

Systemtic Name: 1-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-nitro-phenyl]-N-(4-methoxyphenyl)methanimine Openeye Name: 1-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-nitro-phenyl]-N-(4-methoxyphenyl)methanimine CAS Name: 1-[4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-3-nitrophenyl]-N-(4-methoxyphenyl)methanimine IUPAC Name: 1-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-nitrophenyl]-N-(4-methoxyphenyl)methanimine Traditional Name: (4-methoxyphenyl)-[3-nitro-4-(4-piperonylpiperazino)benzylidene]amine Formula: C26H26N4O5 MolecularWeight: 474.50844

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N=CC2=CC(=C(C=C2)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)N=CC2=CC(=C(C=C2)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)[N+](=O)[O-]

InChI

InChI=1S/C26H26N4O5/c1-33-22-6-4-21(5-7-22)27-16-19-2-8-23(24(14-19)30(31)32)29-12-10-28(11-13-29)17-20-3-9-25-26(15-20)35-18-34-25/h2-9,14-16H,10-13,17-18H2,1H3