4-[[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methyl-quinazolin-7-yl]oxymethyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methyl-quinazolin-7-yl]oxymethyl]benzenecarbonitrile Openeye Name: 4-[[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methyl-quinazolin-7-yl]oxymethyl]benzonitrile CAS Name: 4-[[4-[(2S)-2-(hydroxymethyl)-1-pyrrolidinyl]-2-methyl-7-quinazolinyl]oxymethyl]benzonitrile IUPAC Name: 4-[[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylquinazolin-7-yl]oxymethyl]benzonitrile Traditional Name: 4-[[2-methyl-4-[(2S)-2-methylolpyrrolidino]quinazolin-7-yl]oxymethyl]benzonitrile Formula: C22H22N4O2 MolecularWeight: 374.43568

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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)N4CCCC4CO

Isomeric SMILES

CC1=NC2=C(C=CC(=C2)OCC3=CC=C(C=C3)C#N)C(=N1)N4CCC[C@H]4CO

InChI

InChI=1S/C22H22N4O2/c1-15-24-21-11-19(28-14-17-6-4-16(12-23)5-7-17)8-9-20(21)22(25-15)26-10-2-3-18(26)13-27/h4-9,11,18,27H,2-3,10,13-14H2,1H3/t18-/m0/s1