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

Systemtic Name: 2-(5,8-dimethyl-4-oxidanylidene-3-phenyl-pyridazino[4,5-b]indol-1-yl)ethanenitrile Openeye Name: 2-(5,8-dimethyl-4-oxo-3-phenyl-pyridazino[4,5-b]indol-1-yl)acetonitrile CAS Name: 2-(5,8-dimethyl-4-oxo-3-phenyl-1-pyridazino[4,5-b]indolyl)acetonitrile IUPAC Name: 2-(5,8-dimethyl-4-oxo-3-phenylpyridazino[4,5-b]indol-1-yl)acetonitrile Traditional Name: 2-(4-keto-5,8-dimethyl-3-phenyl-pyridazin[4,5-b]indol-1-yl)acetonitrile Formula: C20H16N4O MolecularWeight: 328.36724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C3=C2C(=NN(C3=O)C4=CC=CC=C4)CC#N)C

Isomeric SMILES

CC1=CC2=C(C=C1)N(C3=C2C(=NN(C3=O)C4=CC=CC=C4)CC#N)C

InChI

InChI=1S/C20H16N4O/c1-13-8-9-17-15(12-13)18-16(10-11-21)22-24(14-6-4-3-5-7-14)20(25)19(18)23(17)2/h3-9,12H,10H2,1-2H3