(E)-1-[4-[4-nitro-3-(pyridin-3-ylmethylamino)phenyl]piperazin-1-yl]-3-phenyl-prop-2-en-1-one

Systemtic Name: (E)-1-[4-[4-nitro-3-(pyridin-3-ylmethylamino)phenyl]piperazin-1-yl]-3-phenyl-prop-2-en-1-one Openeye Name: (E)-1-[4-[4-nitro-3-(3-pyridylmethylamino)phenyl]piperazin-1-yl]-3-phenyl-prop-2-en-1-one CAS Name: (E)-1-[4-[4-nitro-3-(3-pyridinylmethylamino)phenyl]-1-piperazinyl]-3-phenyl-2-propen-1-one IUPAC Name: (E)-1-[4-[4-nitro-3-(pyridin-3-ylmethylamino)phenyl]piperazin-1-yl]-3-phenylprop-2-en-1-one Traditional Name: (E)-1-[4-[4-nitro-3-(3-pyridylmethylamino)phenyl]piperazino]-3-phenyl-prop-2-en-1-one Formula: C25H25N5O3 MolecularWeight: 443.4977

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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)C=CC4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C25H25N5O3/c31-25(11-8-20-5-2-1-3-6-20)29-15-13-28(14-16-29)22-9-10-24(30(32)33)23(17-22)27-19-21-7-4-12-26-18-21/h1-12,17-18,27H,13-16,19H2/b11-8+