3-[4-(2-diethylaminoethyl)-4-(3-oxidanylbutyl)-3-oxidanylidene-1,2-diazinan-1-yl]benzenecarbonitrile

Systemtic Name: 3-[4-(2-diethylaminoethyl)-4-(3-oxidanylbutyl)-3-oxidanylidene-1,2-diazinan-1-yl]benzenecarbonitrile Openeye Name: 3-[4-(2-diethylaminoethyl)-4-(3-hydroxybutyl)-3-oxo-hexahydropyridazin-1-yl]benzonitrile CAS Name: 3-[4-(2-diethylaminoethyl)-4-(3-hydroxybutyl)-3-oxo-1-diazinanyl]benzonitrile IUPAC Name: 3-[4-(2-diethylaminoethyl)-4-(3-hydroxybutyl)-3-oxodiazinan-1-yl]benzonitrile Traditional Name: 3-[4-(2-diethylaminoethyl)-4-(3-hydroxybutyl)-3-keto-hexahydropyridazin-1-yl]benzonitrile Formula: C21H32N4O2 MolecularWeight: 372.50438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCC1(CCN(NC1=O)C2=CC=CC(=C2)C#N)CCC(C)O

Isomeric SMILES

CCN(CC)CCC1(CCN(NC1=O)C2=CC=CC(=C2)C#N)CCC(C)O

InChI

InChI=1S/C21H32N4O2/c1-4-24(5-2)13-11-21(10-9-17(3)26)12-14-25(23-20(21)27)19-8-6-7-18(15-19)16-22/h6-8,15,17,26H,4-5,9-14H2,1-3H3,(H,23,27)