4-[3-[(5-bromanyl-1-ethyl-6-oxidanylidene-pyridazin-4-yl)amino]propoxy]-3-butyl-benzenecarbonitrile

Systemtic Name: 4-[3-[(5-bromanyl-1-ethyl-6-oxidanylidene-pyridazin-4-yl)amino]propoxy]-3-butyl-benzenecarbonitrile Openeye Name: 4-[3-[(5-bromo-1-ethyl-6-oxo-pyridazin-4-yl)amino]propoxy]-3-butyl-benzonitrile CAS Name: 4-[3-[(5-bromo-1-ethyl-6-oxo-4-pyridazinyl)amino]propoxy]-3-butylbenzonitrile IUPAC Name: 4-[3-[(5-bromo-1-ethyl-6-oxopyridazin-4-yl)amino]propoxy]-3-butylbenzonitrile Traditional Name: 4-[3-[(5-bromo-1-ethyl-6-keto-pyridazin-4-yl)amino]propoxy]-3-butyl-benzonitrile Formula: C20H25BrN4O2 MolecularWeight: 433.3421

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=CC(=C1)C#N)OCCCNC2=C(C(=O)N(N=C2)CC)Br

Isomeric SMILES

CCCCC1=C(C=CC(=C1)C#N)OCCCNC2=C(C(=O)N(N=C2)CC)Br

InChI

InChI=1S/C20H25BrN4O2/c1-3-5-7-16-12-15(13-22)8-9-18(16)27-11-6-10-23-17-14-24-25(4-2)20(26)19(17)21/h8-9,12,14,23H,3-7,10-11H2,1-2H3