diethyl (Z)-2-(3-cyano-7-methyl-pyrazolo[1,5-a]pyrimidin-6-yl)-3-phenylazanyl-but-2-enedioate

Systemtic Name: diethyl (Z)-2-(3-cyano-7-methyl-pyrazolo[1,5-a]pyrimidin-6-yl)-3-phenylazanyl-but-2-enedioate Openeye Name: diethyl (Z)-2-anilino-3-(3-cyano-7-methyl-pyrazolo[1,5-a]pyrimidin-6-yl)but-2-enedioate CAS Name: (Z)-2-anilino-3-(3-cyano-7-methyl-6-pyrazolo[1,5-a]pyrimidinyl)-2-butenedioic acid diethyl ester IUPAC Name: diethyl (Z)-2-anilino-3-(3-cyano-7-methylpyrazolo[1,5-a]pyrimidin-6-yl)but-2-enedioate Traditional Name: (Z)-2-anilino-3-(3-cyano-7-methyl-pyrazolo[1,5-a]pyrimidin-6-yl)but-2-enedioic acid diethyl ester Formula: C22H21N5O4 MolecularWeight: 419.43324

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(C(=O)OCC)NC1=CC=CC=C1)C2=C(N3C(=C(C=N3)C#N)N=C2)C

Isomeric SMILES

CCOC(=O)/C(=C(/C(=O)OCC)\NC1=CC=CC=C1)/C2=C(N3C(=C(C=N3)C#N)N=C2)C

InChI

InChI=1S/C22H21N5O4/c1-4-30-21(28)18(17-13-24-20-15(11-23)12-25-27(20)14(17)3)19(22(29)31-5-2)26-16-9-7-6-8-10-16/h6-10,12-13,26H,4-5H2,1-3H3/b19-18-