[3-cyano-5-methyl-4-[(4-phenylmethoxyphenyl)amino]pyrrolo[1,2-b]pyridazin-6-yl]carbamic acid

Systemtic Name: [3-cyano-5-methyl-4-[(4-phenylmethoxyphenyl)amino]pyrrolo[1,2-b]pyridazin-6-yl]carbamic acid Openeye Name: [4-(4-benzyloxyanilino)-3-cyano-5-methyl-pyrrolo[1,2-b]pyridazin-6-yl]carbamic acid CAS Name: [3-cyano-5-methyl-4-(4-phenylmethoxyanilino)-6-pyrrolo[1,2-b]pyridazinyl]carbamic acid IUPAC Name: [3-cyano-5-methyl-4-(4-phenylmethoxyanilino)pyrrolo[1,2-b]pyridazin-6-yl]carbamic acid Traditional Name: [4-(4-benzoxyanilino)-3-cyano-5-methyl-pyrrolo[1,2-b]pyridazin-6-yl]carbamic acid Formula: C23H19N5O3 MolecularWeight: 413.42866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=NN2C=C1NC(=O)O)C#N)NC3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CC1=C2C(=C(C=NN2C=C1NC(=O)O)C#N)NC3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C23H19N5O3/c1-15-20(27-23(29)30)13-28-22(15)21(17(11-24)12-25-28)26-18-7-9-19(10-8-18)31-14-16-5-3-2-4-6-16/h2-10,12-13,26-27H,14H2,1H3,(H,29,30)