methyl 3-[[4-[[5,6-diethyl-2-(2-ethylhexyl)-7-oxidanylidene-pyrazolo[1,5-a]pyrimidin-3-ylidene]amino]-3-methyl-phenyl]-ethyl-amino]propanoate

Systemtic Name: methyl 3-[[4-[[5,6-diethyl-2-(2-ethylhexyl)-7-oxidanylidene-pyrazolo[1,5-a]pyrimidin-3-ylidene]amino]-3-methyl-phenyl]-ethyl-amino]propanoate Openeye Name: methyl 3-[4-[[5,6-diethyl-2-(2-ethylhexyl)-7-oxo-pyrazolo[1,5-a]pyrimidin-3-ylidene]amino]-N-ethyl-3-methyl-anilino]propanoate CAS Name: 3-[4-[[5,6-diethyl-2-(2-ethylhexyl)-7-oxo-3-pyrazolo[1,5-a]pyrimidinylidene]amino]-N-ethyl-3-methylanilino]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[[5,6-diethyl-2-(2-ethylhexyl)-7-oxopyrazolo[1,5-a]pyrimidin-3-ylidene]amino]-N-ethyl-3-methylanilino]propanoate Traditional Name: 3-[4-[[5,6-diethyl-2-(2-ethylhexyl)-7-keto-pyrazolo[1,5-a]pyrimidin-3-ylidene]amino]-N-ethyl-3-methyl-anilino]propionic acid methyl ester Formula: C31H45N5O3 MolecularWeight: 535.7207

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CC1=NN2C(=NC(=C(C2=O)CC)CC)C1=NC3=C(C=C(C=C3)N(CC)CCC(=O)OC)C

Isomeric SMILES

CCCCC(CC)CC1=NN2C(=NC(=C(C2=O)CC)CC)C1=NC3=C(C=C(C=C3)N(CC)CCC(=O)OC)C

InChI

InChI=1S/C31H45N5O3/c1-8-13-14-22(9-2)20-27-29(30-33-25(11-4)24(10-3)31(38)36(30)34-27)32-26-16-15-23(19-21(26)6)35(12-5)18-17-28(37)39-7/h15-16,19,22H,8-14,17-18,20H2,1-7H3