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

Systemtic Name: 2-[[2-[(3R)-3-azanylpiperidin-1-yl]-6-bromanyl-4-oxidanylidene-quinazolin-3-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[2-[(3R)-3-amino-1-piperidyl]-6-bromo-4-oxo-quinazolin-3-yl]methyl]benzonitrile CAS Name: 2-[[2-[(3R)-3-amino-1-piperidinyl]-6-bromo-4-oxo-3-quinazolinyl]methyl]benzonitrile IUPAC Name: 2-[[2-[(3R)-3-aminopiperidin-1-yl]-6-bromo-4-oxoquinazolin-3-yl]methyl]benzonitrile Traditional Name: 2-[[2-[(3R)-3-aminopiperidino]-6-bromo-4-keto-quinazolin-3-yl]methyl]benzonitrile Formula: C21H20BrN5O MolecularWeight: 438.3204

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC3=C(C=C(C=C3)Br)C(=O)N2CC4=CC=CC=C4C#N)N

Isomeric SMILES

C1C[C@H](CN(C1)C2=NC3=C(C=C(C=C3)Br)C(=O)N2CC4=CC=CC=C4C#N)N

InChI

InChI=1S/C21H20BrN5O/c22-16-7-8-19-18(10-16)20(28)27(12-15-5-2-1-4-14(15)11-23)21(25-19)26-9-3-6-17(24)13-26/h1-2,4-5,7-8,10,17H,3,6,9,12-13,24H2/t17-/m1/s1