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

Systemtic Name: 2-[[2-[(3R)-3-azanylpiperidin-1-yl]-7-chloranyl-4-oxidanylidene-quinazolin-3-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[2-[(3R)-3-amino-1-piperidyl]-7-chloro-4-oxo-quinazolin-3-yl]methyl]benzonitrile CAS Name: 2-[[2-[(3R)-3-amino-1-piperidinyl]-7-chloro-4-oxo-3-quinazolinyl]methyl]benzonitrile IUPAC Name: 2-[[2-[(3R)-3-aminopiperidin-1-yl]-7-chloro-4-oxoquinazolin-3-yl]methyl]benzonitrile Traditional Name: 2-[[2-[(3R)-3-aminopiperidino]-7-chloro-4-keto-quinazolin-3-yl]methyl]benzonitrile Formula: C21H20ClN5O MolecularWeight: 393.8694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClN5O/c22-16-7-8-18-19(10-16)25-21(26-9-3-6-17(24)13-26)27(20(18)28)12-15-5-2-1-4-14(15)11-23/h1-2,4-5,7-8,10,17H,3,6,9,12-13,24H2/t17-/m1/s1