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

Systemtic Name: [4-[4-nitro-3-(pyridin-3-ylmethylamino)phenyl]piperazin-1-yl]-phenyl-methanone Openeye Name: [4-[4-nitro-3-(3-pyridylmethylamino)phenyl]piperazin-1-yl]-phenyl-methanone CAS Name: [4-[4-nitro-3-(3-pyridinylmethylamino)phenyl]-1-piperazinyl]-phenylmethanone IUPAC Name: [4-[4-nitro-3-(pyridin-3-ylmethylamino)phenyl]piperazin-1-yl]-phenylmethanone Traditional Name: [4-[4-nitro-3-(3-pyridylmethylamino)phenyl]piperazino]-phenyl-methanone Formula: C23H23N5O3 MolecularWeight: 417.46042

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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=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C23H23N5O3/c29-23(19-6-2-1-3-7-19)27-13-11-26(12-14-27)20-8-9-22(28(30)31)21(15-20)25-17-18-5-4-10-24-16-18/h1-10,15-16,25H,11-14,17H2