3-[[6-methyl-5-[2-(methylamino)quinazolin-6-yl]isoquinolin-1-yl]amino]benzenecarbonitrile

Systemtic Name: 3-[[6-methyl-5-[2-(methylamino)quinazolin-6-yl]isoquinolin-1-yl]amino]benzenecarbonitrile Openeye Name: 3-[[6-methyl-5-[2-(methylamino)quinazolin-6-yl]-1-isoquinolyl]amino]benzonitrile CAS Name: 3-[[6-methyl-5-[2-(methylamino)-6-quinazolinyl]-1-isoquinolinyl]amino]benzonitrile IUPAC Name: 3-[[6-methyl-5-[2-(methylamino)quinazolin-6-yl]isoquinolin-1-yl]amino]benzonitrile Traditional Name: 3-[[6-methyl-5-[2-(methylamino)quinazolin-6-yl]-1-isoquinolyl]amino]benzonitrile Formula: C26H20N6 MolecularWeight: 416.4772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=NC=C2)NC3=CC=CC(=C3)C#N)C4=CC5=CN=C(N=C5C=C4)NC

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=NC=C2)NC3=CC=CC(=C3)C#N)C4=CC5=CN=C(N=C5C=C4)NC

InChI

InChI=1S/C26H20N6/c1-16-6-8-22-21(10-11-29-25(22)31-20-5-3-4-17(12-20)14-27)24(16)18-7-9-23-19(13-18)15-30-26(28-2)32-23/h3-13,15H,1-2H3,(H,29,31)(H,28,30,32)