3-oxidanylidene-2-(4-oxidanylidene-1H-quinazolin-2-ylidene)-4-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]butanenitrile

Systemtic Name: 3-oxidanylidene-2-(4-oxidanylidene-1H-quinazolin-2-ylidene)-4-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]butanenitrile Openeye Name: 4-(4-benzylpiperazine-1,4-diium-1-yl)-3-oxo-2-(4-oxo-1H-quinazolin-2-ylidene)butanenitrile CAS Name: 3-oxo-2-(4-oxo-1H-quinazolin-2-ylidene)-4-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]butanenitrile IUPAC Name: 4-(4-benzylpiperazine-1,4-diium-1-yl)-3-oxo-2-(4-oxo-1H-quinazolin-2-ylidene)butanenitrile Traditional Name: 4-(4-benzylpiperazine-1,4-diium-1-yl)-3-keto-2-(4-keto-1H-quinazolin-2-ylidene)butyronitrile Formula: C23H25N5O2+2 MolecularWeight: 403.4769

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC=CC=C2)CC(=O)C(=C3NC4=CC=CC=C4C(=O)N3)C#N

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC=CC=C2)CC(=O)C(=C3NC4=CC=CC=C4C(=O)N3)C#N

InChI

InChI=1S/C23H23N5O2/c24-14-19(22-25-20-9-5-4-8-18(20)23(30)26-22)21(29)16-28-12-10-27(11-13-28)15-17-6-2-1-3-7-17/h1-9,25H,10-13,15-16H2,(H,26,30)/p+2