6-[2-[[2-(4-phenoxyphenyl)quinazolin-4-yl]amino]ethylamino]pyridine-3-carbonitrile

Systemtic Name: 6-[2-[[2-(4-phenoxyphenyl)quinazolin-4-yl]amino]ethylamino]pyridine-3-carbonitrile Openeye Name: 6-[2-[[2-(4-phenoxyphenyl)quinazolin-4-yl]amino]ethylamino]pyridine-3-carbonitrile CAS Name: 6-[2-[[2-(4-phenoxyphenyl)-4-quinazolinyl]amino]ethylamino]-3-pyridinecarbonitrile IUPAC Name: 6-[2-[[2-(4-phenoxyphenyl)quinazolin-4-yl]amino]ethylamino]pyridine-3-carbonitrile Traditional Name: 6-[2-[[2-(4-phenoxyphenyl)quinazolin-4-yl]amino]ethylamino]nicotinonitrile Formula: C28H22N6O MolecularWeight: 458.51388

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)C3=NC4=CC=CC=C4C(=N3)NCCNC5=NC=C(C=C5)C#N

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)C3=NC4=CC=CC=C4C(=N3)NCCNC5=NC=C(C=C5)C#N

InChI

InChI=1S/C28H22N6O/c29-18-20-10-15-26(32-19-20)30-16-17-31-28-24-8-4-5-9-25(24)33-27(34-28)21-11-13-23(14-12-21)35-22-6-2-1-3-7-22/h1-15,19H,16-17H2,(H,30,32)(H,31,33,34)