1-[[4-(cyanomethyl)phenyl]amino]cyclododecane-1-carbonitrile

Systemtic Name: 1-[[4-(cyanomethyl)phenyl]amino]cyclododecane-1-carbonitrile Openeye Name: 1-[4-(cyanomethyl)anilino]cyclododecanecarbonitrile CAS Name: 1-[4-(cyanomethyl)anilino]-1-cyclododecanecarbonitrile IUPAC Name: 1-[4-(cyanomethyl)anilino]cyclododecane-1-carbonitrile Traditional Name: 1-[4-(cyanomethyl)anilino]cyclododecanecarbonitrile Formula: C21H29N3 MolecularWeight: 323.47506

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCCCC(CCCCC1)(C#N)NC2=CC=C(C=C2)CC#N

Isomeric SMILES

C1CCCCCC(CCCCC1)(C#N)NC2=CC=C(C=C2)CC#N

InChI

InChI=1S/C21H29N3/c22-17-14-19-10-12-20(13-11-19)24-21(18-23)15-8-6-4-2-1-3-5-7-9-16-21/h10-13,24H,1-9,14-16H2