(E)-2-[4-(4-nitrophenyl)piperazin-1-yl]carbonyl-3-quinoxalin-2-yl-prop-2-enenitrile

Systemtic Name: (E)-2-[4-(4-nitrophenyl)piperazin-1-yl]carbonyl-3-quinoxalin-2-yl-prop-2-enenitrile Openeye Name: (E)-2-[4-(4-nitrophenyl)piperazine-1-carbonyl]-3-quinoxalin-2-yl-prop-2-enenitrile CAS Name: (E)-2-[[4-(4-nitrophenyl)-1-piperazinyl]-oxomethyl]-3-(2-quinoxalinyl)-2-propenenitrile IUPAC Name: (E)-2-[4-(4-nitrophenyl)piperazine-1-carbonyl]-3-quinoxalin-2-ylprop-2-enenitrile Traditional Name: (E)-2-[4-(4-nitrophenyl)piperazine-1-carbonyl]-3-quinoxalin-2-yl-acrylonitrile Formula: C22H18N6O3 MolecularWeight: 414.41672

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C(=CC3=NC4=CC=CC=C4N=C3)C#N

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)/C(=C/C3=NC4=CC=CC=C4N=C3)/C#N

InChI

InChI=1S/C22H18N6O3/c23-14-16(13-17-15-24-20-3-1-2-4-21(20)25-17)22(29)27-11-9-26(10-12-27)18-5-7-19(8-6-18)28(30)31/h1-8,13,15H,9-12H2/b16-13+