4-[[[4-[(2-phenylquinazolin-4-yl)amino]pyridin-3-yl]amino]methyl]benzenecarbonitrile

Systemtic Name: 4-[[[4-[(2-phenylquinazolin-4-yl)amino]pyridin-3-yl]amino]methyl]benzenecarbonitrile Openeye Name: 4-[[[4-[(2-phenylquinazolin-4-yl)amino]-3-pyridyl]amino]methyl]benzonitrile CAS Name: 4-[[[4-[(2-phenyl-4-quinazolinyl)amino]-3-pyridinyl]amino]methyl]benzonitrile IUPAC Name: 4-[[[4-[(2-phenylquinazolin-4-yl)amino]pyridin-3-yl]amino]methyl]benzonitrile Traditional Name: 4-[[[4-[(2-phenylquinazolin-4-yl)amino]-3-pyridyl]amino]methyl]benzonitrile Formula: C27H20N6 MolecularWeight: 428.4879

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)NC4=C(C=NC=C4)NCC5=CC=C(C=C5)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)NC4=C(C=NC=C4)NCC5=CC=C(C=C5)C#N

InChI

InChI=1S/C27H20N6/c28-16-19-10-12-20(13-11-19)17-30-25-18-29-15-14-24(25)32-27-22-8-4-5-9-23(22)31-26(33-27)21-6-2-1-3-7-21/h1-15,18,30H,17H2,(H,29,31,32,33)