2-[[2-[(3R)-3-azanylpiperidin-1-yl]-7-fluoranyl-6-methoxy-4-oxidanylidene-quinazolin-3-yl]methyl]benzenecarbonitrile

Systemtic Name: 2-[[2-[(3R)-3-azanylpiperidin-1-yl]-7-fluoranyl-6-methoxy-4-oxidanylidene-quinazolin-3-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[2-[(3R)-3-amino-1-piperidyl]-7-fluoro-6-methoxy-4-oxo-quinazolin-3-yl]methyl]benzonitrile CAS Name: 2-[[2-[(3R)-3-amino-1-piperidinyl]-7-fluoro-6-methoxy-4-oxo-3-quinazolinyl]methyl]benzonitrile IUPAC Name: 2-[[2-[(3R)-3-aminopiperidin-1-yl]-7-fluoro-6-methoxy-4-oxoquinazolin-3-yl]methyl]benzonitrile Traditional Name: 2-[[2-[(3R)-3-aminopiperidino]-7-fluoro-4-keto-6-methoxy-quinazolin-3-yl]methyl]benzonitrile Formula: C22H22FN5O2 MolecularWeight: 407.440783

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N(C(=N2)N3CCCC(C3)N)CC4=CC=CC=C4C#N)F

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N(C(=N2)N3CCC[C@H](C3)N)CC4=CC=CC=C4C#N)F

InChI

InChI=1S/C22H22FN5O2/c1-30-20-9-17-19(10-18(20)23)26-22(27-8-4-7-16(25)13-27)28(21(17)29)12-15-6-3-2-5-14(15)11-24/h2-3,5-6,9-10,16H,4,7-8,12-13,25H2,1H3/t16-/m1/s1