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

Systemtic Name: (2Z)-4-[4-(diphenylmethyl)piperazin-1-ium-1-yl]-3-oxidanylidene-2-(4-oxidanylidene-1H-quinazolin-2-ylidene)butanenitrile Openeye Name: (2Z)-4-(4-benzhydrylpiperazin-1-ium-1-yl)-3-oxo-2-(4-oxo-1H-quinazolin-2-ylidene)butanenitrile CAS Name: (2Z)-4-[4-(diphenylmethyl)-1-piperazin-1-iumyl]-3-oxo-2-(4-oxo-1H-quinazolin-2-ylidene)butanenitrile IUPAC Name: (2Z)-4-(4-benzhydrylpiperazin-1-ium-1-yl)-3-oxo-2-(4-oxo-1H-quinazolin-2-ylidene)butanenitrile Traditional Name: (2Z)-4-(4-benzhydrylpiperazin-1-ium-1-yl)-3-keto-2-(4-keto-1H-quinazolin-2-ylidene)butyronitrile Formula: C29H28N5O2+ MolecularWeight: 478.56492

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)C(=C2NC3=CC=CC=C3C(=O)N2)C#N)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)/C(=C\2/NC3=CC=CC=C3C(=O)N2)/C#N)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H27N5O2/c30-19-24(28-31-25-14-8-7-13-23(25)29(36)32-28)26(35)20-33-15-17-34(18-16-33)27(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-14,27,31H,15-18,20H2,(H,32,36)/p+1/b28-24-