4-[[2-methyl-4-(3-oxidanylpyrrolidin-1-yl)quinazolin-7-yl]oxymethyl]benzenecarbonitrile

Systemtic Name: 4-[[2-methyl-4-(3-oxidanylpyrrolidin-1-yl)quinazolin-7-yl]oxymethyl]benzenecarbonitrile Openeye Name: 4-[[4-(3-hydroxypyrrolidin-1-yl)-2-methyl-quinazolin-7-yl]oxymethyl]benzonitrile CAS Name: 4-[[4-(3-hydroxy-1-pyrrolidinyl)-2-methyl-7-quinazolinyl]oxymethyl]benzonitrile IUPAC Name: 4-[[4-(3-hydroxypyrrolidin-1-yl)-2-methylquinazolin-7-yl]oxymethyl]benzonitrile Traditional Name: 4-[[4-(3-hydroxypyrrolidino)-2-methyl-quinazolin-7-yl]oxymethyl]benzonitrile Formula: C21H20N4O2 MolecularWeight: 360.4091

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC(=C2)OCC3=CC=C(C=C3)C#N)C(=N1)N4CCC(C4)O

Isomeric SMILES

CC1=NC2=C(C=CC(=C2)OCC3=CC=C(C=C3)C#N)C(=N1)N4CCC(C4)O

InChI

InChI=1S/C21H20N4O2/c1-14-23-20-10-18(27-13-16-4-2-15(11-22)3-5-16)6-7-19(20)21(24-14)25-9-8-17(26)12-25/h2-7,10,17,26H,8-9,12-13H2,1H3