2-azanyl-5-[(1S)-1-oxidanyl-2-(propan-2-ylamino)ethyl]benzenecarbonitrile

Systemtic Name: 2-azanyl-5-[(1S)-1-oxidanyl-2-(propan-2-ylamino)ethyl]benzenecarbonitrile Openeye Name: 2-amino-5-[(1S)-1-hydroxy-2-(isopropylamino)ethyl]benzonitrile CAS Name: 2-amino-5-[(1S)-1-hydroxy-2-(propan-2-ylamino)ethyl]benzonitrile IUPAC Name: 2-amino-5-[(1S)-1-hydroxy-2-(propan-2-ylamino)ethyl]benzonitrile Traditional Name: 2-amino-5-[(1S)-1-hydroxy-2-(isopropylamino)ethyl]benzonitrile Formula: C12H17N3O MolecularWeight: 219.28288

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCC(C1=CC(=C(C=C1)N)C#N)O

Isomeric SMILES

CC(C)NC[C@H](C1=CC(=C(C=C1)N)C#N)O

InChI

InChI=1S/C12H17N3O/c1-8(2)15-7-12(16)9-3-4-11(14)10(5-9)6-13/h3-5,8,12,15-16H,7,14H2,1-2H3/t12-/m1/s1