methyl 3-[[2-(cyclohexylamino)-1-(1,3-dimethylpyrazol-4-yl)-2-oxidanylidene-ethyl]-pyrazin-2-ylcarbonyl-amino]benzoate

Systemtic Name: methyl 3-[[2-(cyclohexylamino)-1-(1,3-dimethylpyrazol-4-yl)-2-oxidanylidene-ethyl]-pyrazin-2-ylcarbonyl-amino]benzoate Openeye Name: methyl 3-[[2-(cyclohexylamino)-1-(1,3-dimethylpyrazol-4-yl)-2-oxo-ethyl]-(pyrazine-2-carbonyl)amino]benzoate CAS Name: 3-[[2-(cyclohexylamino)-1-(1,3-dimethyl-4-pyrazolyl)-2-oxoethyl]-[oxo(2-pyrazinyl)methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(cyclohexylamino)-1-(1,3-dimethylpyrazol-4-yl)-2-oxoethyl]-(pyrazine-2-carbonyl)amino]benzoate Traditional Name: 3-[[2-(cyclohexylamino)-1-(1,3-dimethylpyrazol-4-yl)-2-keto-ethyl]-pyrazinoyl-amino]benzoic acid methyl ester Formula: C26H30N6O4 MolecularWeight: 490.5542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C(C(=O)NC2CCCCC2)N(C3=CC=CC(=C3)C(=O)OC)C(=O)C4=NC=CN=C4)C

Isomeric SMILES

CC1=NN(C=C1C(C(=O)NC2CCCCC2)N(C3=CC=CC(=C3)C(=O)OC)C(=O)C4=NC=CN=C4)C

InChI

InChI=1S/C26H30N6O4/c1-17-21(16-31(2)30-17)23(24(33)29-19-9-5-4-6-10-19)32(25(34)22-15-27-12-13-28-22)20-11-7-8-18(14-20)26(35)36-3/h7-8,11-16,19,23H,4-6,9-10H2,1-3H3,(H,29,33)