2-[3-isocyano-5-methyl-4-[(4-phenoxyphenyl)amino]pyrrolo[1,2-b]pyridazin-6-yl]propan-2-ol

Systemtic Name: 2-[3-isocyano-5-methyl-4-[(4-phenoxyphenyl)amino]pyrrolo[1,2-b]pyridazin-6-yl]propan-2-ol Openeye Name: 2-[3-isocyano-5-methyl-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazin-6-yl]propan-2-ol CAS Name: 2-[3-isocyano-5-methyl-4-(4-phenoxyanilino)-6-pyrrolo[1,2-b]pyridazinyl]-2-propanol IUPAC Name: 2-[3-isocyano-5-methyl-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazin-6-yl]propan-2-ol Traditional Name: 2-[3-isocyano-5-methyl-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazin-6-yl]propan-2-ol Formula: C24H22N4O2 MolecularWeight: 398.45708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=NN2C=C1C(C)(C)O)[N+]#[C-])NC3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CC1=C2C(=C(C=NN2C=C1C(C)(C)O)[N+]#[C-])NC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C24H22N4O2/c1-16-20(24(2,3)29)15-28-23(16)22(21(25-4)14-26-28)27-17-10-12-19(13-11-17)30-18-8-6-5-7-9-18/h5-15,27,29H,1-3H3