methyl 3-cyano-5-methyl-4-[[1-(phenylmethyl)piperidin-4-yl]amino]pyrrolo[1,2-b]pyridazine-6-carboxylate

Systemtic Name: methyl 3-cyano-5-methyl-4-[[1-(phenylmethyl)piperidin-4-yl]amino]pyrrolo[1,2-b]pyridazine-6-carboxylate Openeye Name: methyl 4-[(1-benzyl-4-piperidyl)amino]-3-cyano-5-methyl-pyrrolo[1,2-b]pyridazine-6-carboxylate CAS Name: 3-cyano-5-methyl-4-[[1-(phenylmethyl)-4-piperidinyl]amino]-6-pyrrolo[1,2-b]pyridazinecarboxylic acid methyl ester IUPAC Name: methyl 4-[(1-benzylpiperidin-4-yl)amino]-3-cyano-5-methylpyrrolo[1,2-b]pyridazine-6-carboxylate Traditional Name: 4-[(1-benzyl-4-piperidyl)amino]-3-cyano-5-methyl-pyrrolo[1,2-b]pyridazine-6-carboxylic acid methyl ester Formula: C23H25N5O2 MolecularWeight: 403.4769

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=NN2C=C1C(=O)OC)C#N)NC3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C2C(=C(C=NN2C=C1C(=O)OC)C#N)NC3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H25N5O2/c1-16-20(23(29)30-2)15-28-22(16)21(18(12-24)13-25-28)26-19-8-10-27(11-9-19)14-17-6-4-3-5-7-17/h3-7,13,15,19,26H,8-11,14H2,1-2H3