3-oxidanylidene-2-(4-oxidanylidene-1H-quinazolin-2-ylidene)-4-(4-phenylpiperazin-1-yl)butanenitrile

Systemtic Name: 3-oxidanylidene-2-(4-oxidanylidene-1H-quinazolin-2-ylidene)-4-(4-phenylpiperazin-1-yl)butanenitrile Openeye Name: 3-oxo-2-(4-oxo-1H-quinazolin-2-ylidene)-4-(4-phenylpiperazin-1-yl)butanenitrile CAS Name: 3-oxo-2-(4-oxo-1H-quinazolin-2-ylidene)-4-(4-phenyl-1-piperazinyl)butanenitrile IUPAC Name: 3-oxo-2-(4-oxo-1H-quinazolin-2-ylidene)-4-(4-phenylpiperazin-1-yl)butanenitrile Traditional Name: 3-keto-2-(4-keto-1H-quinazolin-2-ylidene)-4-(4-phenylpiperazino)butyronitrile Formula: C22H21N5O2 MolecularWeight: 387.43444

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)C(=C2NC3=CC=CC=C3C(=O)N2)C#N)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CC(=O)C(=C2NC3=CC=CC=C3C(=O)N2)C#N)C4=CC=CC=C4

InChI

InChI=1S/C22H21N5O2/c23-14-18(21-24-19-9-5-4-8-17(19)22(29)25-21)20(28)15-26-10-12-27(13-11-26)16-6-2-1-3-7-16/h1-9,24H,10-13,15H2,(H,25,29)