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

Systemtic Name: 3-[3-[3-(4-bromophenyl)-6-oxidanylidene-4,5-dihydro-1H-pyridazin-5-yl]indol-1-yl]propanenitrile Openeye Name: 3-[3-[3-(4-bromophenyl)-6-oxo-4,5-dihydro-1H-pyridazin-5-yl]indol-1-yl]propanenitrile CAS Name: 3-[3-[3-(4-bromophenyl)-6-oxo-4,5-dihydro-1H-pyridazin-5-yl]-1-indolyl]propanenitrile IUPAC Name: 3-[3-[3-(4-bromophenyl)-6-oxo-4,5-dihydro-1H-pyridazin-5-yl]indol-1-yl]propanenitrile Traditional Name: 3-[3-[3-(4-bromophenyl)-6-keto-4,5-dihydro-1H-pyridazin-5-yl]indol-1-yl]propionitrile Formula: C21H17BrN4O MolecularWeight: 421.28988

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)NN=C1C2=CC=C(C=C2)Br)C3=CN(C4=CC=CC=C43)CCC#N

Isomeric SMILES

C1C(C(=O)NN=C1C2=CC=C(C=C2)Br)C3=CN(C4=CC=CC=C43)CCC#N

InChI

InChI=1S/C21H17BrN4O/c22-15-8-6-14(7-9-15)19-12-17(21(27)25-24-19)18-13-26(11-3-10-23)20-5-2-1-4-16(18)20/h1-2,4-9,13,17H,3,11-12H2,(H,25,27)