2-(5-methyl-4-oxidanylidene-3-phenyl-8-phenylmethoxy-pyridazino[4,5-b]indol-1-yl)ethanenitrile

Systemtic Name: 2-(5-methyl-4-oxidanylidene-3-phenyl-8-phenylmethoxy-pyridazino[4,5-b]indol-1-yl)ethanenitrile Openeye Name: 2-(8-benzyloxy-5-methyl-4-oxo-3-phenyl-pyridazino[4,5-b]indol-1-yl)acetonitrile CAS Name: 2-(5-methyl-4-oxo-3-phenyl-8-phenylmethoxy-1-pyridazino[4,5-b]indolyl)acetonitrile IUPAC Name: 2-(5-methyl-4-oxo-3-phenyl-8-phenylmethoxypyridazino[4,5-b]indol-1-yl)acetonitrile Traditional Name: 2-(8-benzoxy-4-keto-5-methyl-3-phenyl-pyridazin[4,5-b]indol-1-yl)acetonitrile Formula: C26H20N4O2 MolecularWeight: 420.4626

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)OCC3=CC=CC=C3)C4=C1C(=O)N(N=C4CC#N)C5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C=C(C=C2)OCC3=CC=CC=C3)C4=C1C(=O)N(N=C4CC#N)C5=CC=CC=C5

InChI

InChI=1S/C26H20N4O2/c1-29-23-13-12-20(32-17-18-8-4-2-5-9-18)16-21(23)24-22(14-15-27)28-30(26(31)25(24)29)19-10-6-3-7-11-19/h2-13,16H,14,17H2,1H3