5-methyl-4-[(4-phenoxyphenyl)amino]-6-[[(phenylmethyl)amino]methyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile

Systemtic Name: 5-methyl-4-[(4-phenoxyphenyl)amino]-6-[[(phenylmethyl)amino]methyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile Openeye Name: 6-[(benzylamino)methyl]-5-methyl-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazine-3-carbonitrile CAS Name: 5-methyl-4-(4-phenoxyanilino)-6-[[(phenylmethyl)amino]methyl]-3-pyrrolo[1,2-b]pyridazinecarbonitrile IUPAC Name: 6-[(benzylamino)methyl]-5-methyl-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazine-3-carbonitrile Traditional Name: 6-[(benzylamino)methyl]-5-methyl-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazine-3-carbonitrile Formula: C29H25N5O MolecularWeight: 459.5417

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=NN2C=C1CNCC3=CC=CC=C3)C#N)NC4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

CC1=C2C(=C(C=NN2C=C1CNCC3=CC=CC=C3)C#N)NC4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C29H25N5O/c1-21-24(18-31-17-22-8-4-2-5-9-22)20-34-29(21)28(23(16-30)19-32-34)33-25-12-14-27(15-13-25)35-26-10-6-3-7-11-26/h2-15,19-20,31,33H,17-18H2,1H3