1-benzofuran-2-yl-[4-[4-nitro-3-(pyridin-3-ylmethylamino)phenyl]piperazin-1-yl]methanone

Systemtic Name: 1-benzofuran-2-yl-[4-[4-nitro-3-(pyridin-3-ylmethylamino)phenyl]piperazin-1-yl]methanone Openeye Name: benzofuran-2-yl-[4-[4-nitro-3-(3-pyridylmethylamino)phenyl]piperazin-1-yl]methanone CAS Name: 2-benzofuranyl-[4-[4-nitro-3-(3-pyridinylmethylamino)phenyl]-1-piperazinyl]methanone IUPAC Name: 1-benzofuran-2-yl-[4-[4-nitro-3-(pyridin-3-ylmethylamino)phenyl]piperazin-1-yl]methanone Traditional Name: benzofuran-2-yl-[4-[4-nitro-3-(3-pyridylmethylamino)phenyl]piperazino]methanone Formula: C25H23N5O4 MolecularWeight: 457.48122

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CN=CC=C3)C(=O)C4=CC5=CC=CC=C5O4

Isomeric SMILES

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CN=CC=C3)C(=O)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C25H23N5O4/c31-25(24-14-19-5-1-2-6-23(19)34-24)29-12-10-28(11-13-29)20-7-8-22(30(32)33)21(15-20)27-17-18-4-3-9-26-16-18/h1-9,14-16,27H,10-13,17H2