3,5-dimethyl-4-[3-(6-oxidanylidene-1,2-diazinan-3-yl)propoxy]benzenecarbonitrile

Systemtic Name: 3,5-dimethyl-4-[3-(6-oxidanylidene-1,2-diazinan-3-yl)propoxy]benzenecarbonitrile Openeye Name: 3,5-dimethyl-4-[3-(6-oxohexahydropyridazin-3-yl)propoxy]benzonitrile CAS Name: 3,5-dimethyl-4-[3-(6-oxo-3-diazinanyl)propoxy]benzonitrile IUPAC Name: 3,5-dimethyl-4-[3-(6-oxodiazinan-3-yl)propoxy]benzonitrile Traditional Name: 4-[3-(6-ketohexahydropyridazin-3-yl)propoxy]-3,5-dimethyl-benzonitrile Formula: C16H21N3O2 MolecularWeight: 287.35684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCCCC2CCC(=O)NN2)C)C#N

Isomeric SMILES

CC1=CC(=CC(=C1OCCCC2CCC(=O)NN2)C)C#N

InChI

InChI=1S/C16H21N3O2/c1-11-8-13(10-17)9-12(2)16(11)21-7-3-4-14-5-6-15(20)19-18-14/h8-9,14,18H,3-7H2,1-2H3,(H,19,20)