4-[3-[(5-bromanyl-6-oxidanylidene-1-propan-2-yl-pyridazin-4-yl)amino]propoxy]-3-prop-2-enyl-benzenecarbonitrile

Systemtic Name: 4-[3-[(5-bromanyl-6-oxidanylidene-1-propan-2-yl-pyridazin-4-yl)amino]propoxy]-3-prop-2-enyl-benzenecarbonitrile Openeye Name: 3-allyl-4-[3-[(5-bromo-1-isopropyl-6-oxo-pyridazin-4-yl)amino]propoxy]benzonitrile CAS Name: 4-[3-[(5-bromo-6-oxo-1-propan-2-yl-4-pyridazinyl)amino]propoxy]-3-prop-2-enylbenzonitrile IUPAC Name: 4-[3-[(5-bromo-6-oxo-1-propan-2-ylpyridazin-4-yl)amino]propoxy]-3-prop-2-enylbenzonitrile Traditional Name: 3-allyl-4-[3-[(5-bromo-1-isopropyl-6-keto-pyridazin-4-yl)amino]propoxy]benzonitrile Formula: C20H23BrN4O2 MolecularWeight: 431.32622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C(=C(C=N1)NCCCOC2=C(C=C(C=C2)C#N)CC=C)Br

Isomeric SMILES

CC(C)N1C(=O)C(=C(C=N1)NCCCOC2=C(C=C(C=C2)C#N)CC=C)Br

InChI

InChI=1S/C20H23BrN4O2/c1-4-6-16-11-15(12-22)7-8-18(16)27-10-5-9-23-17-13-24-25(14(2)3)20(26)19(17)21/h4,7-8,11,13-14,23H,1,5-6,9-10H2,2-3H3