4-[(1-oxidanylbutan-2-ylamino)methyl]benzenecarbonitrile

Systemtic Name: 4-[(1-oxidanylbutan-2-ylamino)methyl]benzenecarbonitrile Openeye Name: 4-[[1-(hydroxymethyl)propylamino]methyl]benzonitrile CAS Name: 4-[(1-hydroxybutan-2-ylamino)methyl]benzonitrile IUPAC Name: 4-[(1-hydroxybutan-2-ylamino)methyl]benzonitrile Traditional Name: 4-[(1-methylolpropylamino)methyl]benzonitrile Formula: C12H16N2O MolecularWeight: 204.26824

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)NCC1=CC=C(C=C1)C#N

Isomeric SMILES

CCC(CO)NCC1=CC=C(C=C1)C#N

InChI

InChI=1S/C12H16N2O/c1-2-12(9-15)14-8-11-5-3-10(7-13)4-6-11/h3-6,12,14-15H,2,8-9H2,1H3