2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenoxy]ethanenitrile

Systemtic Name: 2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenoxy]ethanenitrile Openeye Name: 2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenoxy]acetonitrile CAS Name: 2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-quinazolinyl]amino]phenoxy]acetonitrile IUPAC Name: 2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenoxy]acetonitrile Traditional Name: 2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenoxy]acetonitrile Formula: C22H19N7O MolecularWeight: 397.43256

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=CC(=NN2)NC3=NC(=NC4=CC=CC=C43)NC5=CC=C(C=C5)OCC#N

Isomeric SMILES

C1CC1C2=CC(=NN2)NC3=NC(=NC4=CC=CC=C43)NC5=CC=C(C=C5)OCC#N

InChI

InChI=1S/C22H19N7O/c23-11-12-30-16-9-7-15(8-10-16)24-22-25-18-4-2-1-3-17(18)21(27-22)26-20-13-19(28-29-20)14-5-6-14/h1-4,7-10,13-14H,5-6,12H2,(H3,24,25,26,27,28,29)