4-[[4-[[2,4-bis(oxidanylidene)-3-phenyl-1H-quinazolin-7-yl]carbonyl]piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[[2,4-bis(oxidanylidene)-3-phenyl-1H-quinazolin-7-yl]carbonyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(2,4-dioxo-3-phenyl-1H-quinazoline-7-carbonyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(2,4-dioxo-3-phenyl-1H-quinazolin-7-yl)-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(2,4-dioxo-3-phenyl-1H-quinazoline-7-carbonyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(2,4-diketo-3-phenyl-1H-quinazoline-7-carbonyl)piperazino]methyl]benzonitrile Formula: C27H23N5O3 MolecularWeight: 465.50322

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C3=CC4=C(C=C3)C(=O)N(C(=O)N4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C3=CC4=C(C=C3)C(=O)N(C(=O)N4)C5=CC=CC=C5

InChI

InChI=1S/C27H23N5O3/c28-17-19-6-8-20(9-7-19)18-30-12-14-31(15-13-30)25(33)21-10-11-23-24(16-21)29-27(35)32(26(23)34)22-4-2-1-3-5-22/h1-11,16H,12-15,18H2,(H,29,35)