(2E)-3-oxidanylidene-2-(4-oxidanylidene-1H-quinazolin-2-ylidene)-4-[4-(phenylmethyl)piperazin-1-ium-1-yl]butanenitrile

Systemtic Name: (2E)-3-oxidanylidene-2-(4-oxidanylidene-1H-quinazolin-2-ylidene)-4-[4-(phenylmethyl)piperazin-1-ium-1-yl]butanenitrile Openeye Name: (2E)-4-(4-benzylpiperazin-1-ium-1-yl)-3-oxo-2-(4-oxo-1H-quinazolin-2-ylidene)butanenitrile CAS Name: (2E)-3-oxo-2-(4-oxo-1H-quinazolin-2-ylidene)-4-[4-(phenylmethyl)-1-piperazin-1-iumyl]butanenitrile IUPAC Name: (2E)-4-(4-benzylpiperazin-1-ium-1-yl)-3-oxo-2-(4-oxo-1H-quinazolin-2-ylidene)butanenitrile Traditional Name: (2E)-4-(4-benzylpiperazin-1-ium-1-yl)-3-keto-2-(4-keto-1H-quinazolin-2-ylidene)butyronitrile Formula: C23H24N5O2+ MolecularWeight: 402.46896

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)C(=C2NC3=CC=CC=C3C(=O)N2)C#N)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)/C(=C/2\NC3=CC=CC=C3C(=O)N2)/C#N)CC4=CC=CC=C4

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+1/b22-19+