methyl 4-[[7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[[7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]amino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[[6-(4-benzyloxyphenyl)-7-cyclohexyl-pyrazolo[1,5-a]pyrimidin-3-yl]amino]-4-oxo-butanoate CAS Name: 4-[[7-cyclohexyl-6-(4-phenylmethoxyphenyl)-3-pyrazolo[1,5-a]pyrimidinyl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[[7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]amino]-4-oxobutanoate Traditional Name: 4-[[6-(4-benzoxyphenyl)-7-cyclohexyl-pyrazolo[1,5-a]pyrimidin-3-yl]amino]-4-keto-butyric acid methyl ester Formula: C30H32N4O4 MolecularWeight: 512.59948

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)NC1=C2N=CC(=C(N2N=C1)C3CCCCC3)C4=CC=C(C=C4)OCC5=CC=CC=C5

Isomeric SMILES

COC(=O)CCC(=O)NC1=C2N=CC(=C(N2N=C1)C3CCCCC3)C4=CC=C(C=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C30H32N4O4/c1-37-28(36)17-16-27(35)33-26-19-32-34-29(23-10-6-3-7-11-23)25(18-31-30(26)34)22-12-14-24(15-13-22)38-20-21-8-4-2-5-9-21/h2,4-5,8-9,12-15,18-19,23H,3,6-7,10-11,16-17,20H2,1H3,(H,33,35)