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

Systemtic Name: 5-methyl-4-[(4-phenoxyphenyl)amino]-6-[(phenylmethyl)amino]pyrrolo[1,2-b]pyridazine-3-carbonitrile Openeye Name: 6-(benzylamino)-5-methyl-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazine-3-carbonitrile CAS Name: 5-methyl-4-(4-phenoxyanilino)-6-[(phenylmethyl)amino]-3-pyrrolo[1,2-b]pyridazinecarbonitrile IUPAC Name: 6-(benzylamino)-5-methyl-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazine-3-carbonitrile Traditional Name: 6-(benzylamino)-5-methyl-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazine-3-carbonitrile Formula: C28H23N5O MolecularWeight: 445.51512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=NN2C=C1NCC3=CC=CC=C3)C#N)NC4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

CC1=C2C(=C(C=NN2C=C1NCC3=CC=CC=C3)C#N)NC4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C28H23N5O/c1-20-26(30-17-21-8-4-2-5-9-21)19-33-28(20)27(22(16-29)18-31-33)32-23-12-14-25(15-13-23)34-24-10-6-3-7-11-24/h2-15,18-19,30,32H,17H2,1H3