(E)-3-[2-(4-ethylpiperazin-1-yl)-5-nitro-phenyl]-2-(4-oxidanylidene-1H-quinazolin-2-yl)prop-2-enenitrile

Systemtic Name: (E)-3-[2-(4-ethylpiperazin-1-yl)-5-nitro-phenyl]-2-(4-oxidanylidene-1H-quinazolin-2-yl)prop-2-enenitrile Openeye Name: (E)-3-[2-(4-ethylpiperazin-1-yl)-5-nitro-phenyl]-2-(4-oxo-1H-quinazolin-2-yl)prop-2-enenitrile CAS Name: (E)-3-[2-(4-ethyl-1-piperazinyl)-5-nitrophenyl]-2-(4-oxo-1H-quinazolin-2-yl)-2-propenenitrile IUPAC Name: (E)-3-[2-(4-ethylpiperazin-1-yl)-5-nitrophenyl]-2-(4-oxo-1H-quinazolin-2-yl)prop-2-enenitrile Traditional Name: (E)-3-[2-(4-ethylpiperazino)-5-nitro-phenyl]-2-(4-keto-1H-quinazolin-2-yl)acrylonitrile Formula: C23H22N6O3 MolecularWeight: 430.45918

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C=C(C#N)C3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CCN1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])/C=C(\C#N)/C3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C23H22N6O3/c1-2-27-9-11-28(12-10-27)21-8-7-18(29(31)32)14-16(21)13-17(15-24)22-25-20-6-4-3-5-19(20)23(30)26-22/h3-8,13-14H,2,9-12H2,1H3,(H,25,26,30)/b17-13+