3-[3-[(5R)-3-(4-methylphenyl)-6-oxidanylidene-4,5-dihydro-1H-pyridazin-5-yl]indol-1-yl]propanenitrile

Systemtic Name: 3-[3-[(5R)-3-(4-methylphenyl)-6-oxidanylidene-4,5-dihydro-1H-pyridazin-5-yl]indol-1-yl]propanenitrile Openeye Name: 3-[3-[(5R)-6-oxo-3-(p-tolyl)-4,5-dihydro-1H-pyridazin-5-yl]indol-1-yl]propanenitrile CAS Name: 3-[3-[(5R)-3-(4-methylphenyl)-6-oxo-4,5-dihydro-1H-pyridazin-5-yl]-1-indolyl]propanenitrile IUPAC Name: 3-[3-[(5R)-3-(4-methylphenyl)-6-oxo-4,5-dihydro-1H-pyridazin-5-yl]indol-1-yl]propanenitrile Traditional Name: 3-[3-[(5R)-6-keto-3-(p-tolyl)-4,5-dihydro-1H-pyridazin-5-yl]indol-1-yl]propionitrile Formula: C22H20N4O MolecularWeight: 356.4204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=O)C(C2)C3=CN(C4=CC=CC=C43)CCC#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=O)[C@H](C2)C3=CN(C4=CC=CC=C43)CCC#N

InChI

InChI=1S/C22H20N4O/c1-15-7-9-16(10-8-15)20-13-18(22(27)25-24-20)19-14-26(12-4-11-23)21-6-3-2-5-17(19)21/h2-3,5-10,14,18H,4,12-13H2,1H3,(H,25,27)/t18-/m1/s1