3-methoxybutyl N-[3-cyano-5-methyl-4-[(4-phenoxyphenyl)amino]pyrrolo[1,2-b]pyridazin-6-yl]carbamate

Systemtic Name: 3-methoxybutyl N-[3-cyano-5-methyl-4-[(4-phenoxyphenyl)amino]pyrrolo[1,2-b]pyridazin-6-yl]carbamate Openeye Name: 3-methoxybutyl N-[3-cyano-5-methyl-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazin-6-yl]carbamate CAS Name: N-[3-cyano-5-methyl-4-(4-phenoxyanilino)-6-pyrrolo[1,2-b]pyridazinyl]carbamic acid 3-methoxybutyl ester IUPAC Name: 3-methoxybutyl N-[3-cyano-5-methyl-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazin-6-yl]carbamate Traditional Name: N-[3-cyano-5-methyl-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazin-6-yl]carbamic acid 3-methoxybutyl ester Formula: C27H27N5O4 MolecularWeight: 485.53438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=NN2C=C1NC(=O)OCCC(C)OC)C#N)NC3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CC1=C2C(=C(C=NN2C=C1NC(=O)OCCC(C)OC)C#N)NC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C27H27N5O4/c1-18(34-3)13-14-35-27(33)31-24-17-32-26(19(24)2)25(20(15-28)16-29-32)30-21-9-11-23(12-10-21)36-22-7-5-4-6-8-22/h4-12,16-18,30H,13-14H2,1-3H3,(H,31,33)