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

Systemtic Name: 5-methyl-4-[(4-phenoxyphenyl)amino]-6-(4-phenylpiperazin-1-yl)carbonyl-pyrrolo[1,2-b]pyridazine-3-carbonitrile Openeye Name: 5-methyl-4-(4-phenoxyanilino)-6-(4-phenylpiperazine-1-carbonyl)pyrrolo[1,2-b]pyridazine-3-carbonitrile CAS Name: 5-methyl-6-[oxo-(4-phenyl-1-piperazinyl)methyl]-4-(4-phenoxyanilino)-3-pyrrolo[1,2-b]pyridazinecarbonitrile IUPAC Name: 5-methyl-4-(4-phenoxyanilino)-6-(4-phenylpiperazine-1-carbonyl)pyrrolo[1,2-b]pyridazine-3-carbonitrile Traditional Name: 5-methyl-4-(4-phenoxyanilino)-6-(4-phenylpiperazine-1-carbonyl)pyrrolo[1,2-b]pyridazine-3-carbonitrile Formula: C32H28N6O2 MolecularWeight: 528.60372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=NN2C=C1C(=O)N3CCN(CC3)C4=CC=CC=C4)C#N)NC5=CC=C(C=C5)OC6=CC=CC=C6

Isomeric SMILES

CC1=C2C(=C(C=NN2C=C1C(=O)N3CCN(CC3)C4=CC=CC=C4)C#N)NC5=CC=C(C=C5)OC6=CC=CC=C6

InChI

InChI=1S/C32H28N6O2/c1-23-29(32(39)37-18-16-36(17-19-37)26-8-4-2-5-9-26)22-38-31(23)30(24(20-33)21-34-38)35-25-12-14-28(15-13-25)40-27-10-6-3-7-11-27/h2-15,21-22,35H,16-19H2,1H3