4-[1-(2-isocyanopropanoyl)piperidin-3-yl]benzenecarbonitrile

Systemtic Name: 4-[1-(2-isocyanopropanoyl)piperidin-3-yl]benzenecarbonitrile Openeye Name: 4-[1-(2-isocyanopropanoyl)-3-piperidyl]benzonitrile CAS Name: 4-[1-(2-isocyano-1-oxopropyl)-3-piperidinyl]benzonitrile IUPAC Name: 4-[1-(2-isocyanopropanoyl)piperidin-3-yl]benzonitrile Traditional Name: 4-[1-(2-isocyanopropanoyl)-3-piperidyl]benzonitrile Formula: C16H17N3O MolecularWeight: 267.32568

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC(C1)C2=CC=C(C=C2)C#N)[N+]#[C-]

Isomeric SMILES

CC(C(=O)N1CCCC(C1)C2=CC=C(C=C2)C#N)[N+]#[C-]

InChI

InChI=1S/C16H17N3O/c1-12(18-2)16(20)19-9-3-4-15(11-19)14-7-5-13(10-17)6-8-14/h5-8,12,15H,3-4,9,11H2,1H3