3-[[[(3S)-3-azanyl-4-oxidanylidene-4-piperidin-1-yl-butyl]amino]methyl]benzenecarbonitrile

Systemtic Name: 3-[[[(3S)-3-azanyl-4-oxidanylidene-4-piperidin-1-yl-butyl]amino]methyl]benzenecarbonitrile Openeye Name: 3-[[[(3S)-3-amino-4-oxo-4-(1-piperidyl)butyl]amino]methyl]benzonitrile CAS Name: 3-[[[(3S)-3-amino-4-oxo-4-(1-piperidinyl)butyl]amino]methyl]benzonitrile IUPAC Name: 3-[[[(3S)-3-amino-4-oxo-4-piperidin-1-ylbutyl]amino]methyl]benzonitrile Traditional Name: 3-[[[(3S)-3-amino-4-keto-4-piperidino-butyl]amino]methyl]benzonitrile Formula: C17H24N4O MolecularWeight: 300.39866

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C(CCNCC2=CC=CC(=C2)C#N)N

Isomeric SMILES

C1CCN(CC1)C(=O)[C@H](CCNCC2=CC=CC(=C2)C#N)N

InChI

InChI=1S/C17H24N4O/c18-12-14-5-4-6-15(11-14)13-20-8-7-16(19)17(22)21-9-2-1-3-10-21/h4-6,11,16,20H,1-3,7-10,13,19H2/t16-/m0/s1