3-[bis(azanyl)methylideneamino]-N-[3-cyano-4-[[4-(2-methoxyphenoxy)phenyl]amino]-5-methyl-pyrrolo[1,2-b]pyridazin-6-yl]benzamide

Systemtic Name: 3-[bis(azanyl)methylideneamino]-N-[3-cyano-4-[[4-(2-methoxyphenoxy)phenyl]amino]-5-methyl-pyrrolo[1,2-b]pyridazin-6-yl]benzamide Openeye Name: N-[3-cyano-4-[4-(2-methoxyphenoxy)anilino]-5-methyl-pyrrolo[1,2-b]pyridazin-6-yl]-3-guanidino-benzamide CAS Name: N-[3-cyano-4-[4-(2-methoxyphenoxy)anilino]-5-methyl-6-pyrrolo[1,2-b]pyridazinyl]-3-(diaminomethylideneamino)benzamide IUPAC Name: N-[3-cyano-4-[4-(2-methoxyphenoxy)anilino]-5-methylpyrrolo[1,2-b]pyridazin-6-yl]-3-(diaminomethylideneamino)benzamide Traditional Name: N-[3-cyano-4-[4-(2-methoxyphenoxy)anilino]-5-methyl-pyrrolo[1,2-b]pyridazin-6-yl]-3-guanidino-benzamide Formula: C30H26N8O3 MolecularWeight: 546.57924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=NN2C=C1NC(=O)C3=CC(=CC=C3)N=C(N)N)C#N)NC4=CC=C(C=C4)OC5=CC=CC=C5OC

Isomeric SMILES

CC1=C2C(=C(C=NN2C=C1NC(=O)C3=CC(=CC=C3)N=C(N)N)C#N)NC4=CC=C(C=C4)OC5=CC=CC=C5OC

InChI

InChI=1S/C30H26N8O3/c1-18-24(37-29(39)19-6-5-7-22(14-19)36-30(32)33)17-38-28(18)27(20(15-31)16-34-38)35-21-10-12-23(13-11-21)41-26-9-4-3-8-25(26)40-2/h3-14,16-17,35H,1-2H3,(H,37,39)(H4,32,33,36)