2-[4-[4-[(2-propan-2-ylphenyl)amino]quinazolin-2-yl]piperazin-1-yl]benzenecarbonitrile

Systemtic Name: 2-[4-[4-[(2-propan-2-ylphenyl)amino]quinazolin-2-yl]piperazin-1-yl]benzenecarbonitrile Openeye Name: 2-[4-[4-(2-isopropylanilino)quinazolin-2-yl]piperazin-1-yl]benzonitrile CAS Name: 2-[4-[4-(2-propan-2-ylanilino)-2-quinazolinyl]-1-piperazinyl]benzonitrile IUPAC Name: 2-[4-[4-(2-propan-2-ylanilino)quinazolin-2-yl]piperazin-1-yl]benzonitrile Traditional Name: 2-[4-[4-(2-isopropylanilino)quinazolin-2-yl]piperazino]benzonitrile Formula: C28H28N6 MolecularWeight: 448.56212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC2=NC(=NC3=CC=CC=C32)N4CCN(CC4)C5=CC=CC=C5C#N

Isomeric SMILES

CC(C)C1=CC=CC=C1NC2=NC(=NC3=CC=CC=C32)N4CCN(CC4)C5=CC=CC=C5C#N

InChI

InChI=1S/C28H28N6/c1-20(2)22-10-4-6-12-24(22)30-27-23-11-5-7-13-25(23)31-28(32-27)34-17-15-33(16-18-34)26-14-8-3-9-21(26)19-29/h3-14,20H,15-18H2,1-2H3,(H,30,31,32)