7-(hydroxymethyl)-4-[(4-phenoxyphenyl)amino]pyrrolo[1,2-b]pyridazine-3-carbonitrile

Systemtic Name: 7-(hydroxymethyl)-4-[(4-phenoxyphenyl)amino]pyrrolo[1,2-b]pyridazine-3-carbonitrile Openeye Name: 7-(hydroxymethyl)-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazine-3-carbonitrile CAS Name: 7-(hydroxymethyl)-4-(4-phenoxyanilino)-3-pyrrolo[1,2-b]pyridazinecarbonitrile IUPAC Name: 7-(hydroxymethyl)-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazine-3-carbonitrile Traditional Name: 7-methylol-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazine-3-carbonitrile Formula: C21H16N4O2 MolecularWeight: 356.37734

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC3=C(C=NN4C3=CC=C4CO)C#N

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC3=C(C=NN4C3=CC=C4CO)C#N

InChI

InChI=1S/C21H16N4O2/c22-12-15-13-23-25-17(14-26)8-11-20(25)21(15)24-16-6-9-19(10-7-16)27-18-4-2-1-3-5-18/h1-11,13,24,26H,14H2