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

Systemtic Name: ethyl 4-[[2-(cyclohexylamino)-1-(1,3-dimethylpyrazol-4-yl)-2-oxidanylidene-ethyl]-pyrazin-2-ylcarbonyl-amino]benzoate Openeye Name: ethyl 4-[[2-(cyclohexylamino)-1-(1,3-dimethylpyrazol-4-yl)-2-oxo-ethyl]-(pyrazine-2-carbonyl)amino]benzoate CAS Name: 4-[[2-(cyclohexylamino)-1-(1,3-dimethyl-4-pyrazolyl)-2-oxoethyl]-[oxo(2-pyrazinyl)methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(cyclohexylamino)-1-(1,3-dimethylpyrazol-4-yl)-2-oxoethyl]-(pyrazine-2-carbonyl)amino]benzoate Traditional Name: 4-[[2-(cyclohexylamino)-1-(1,3-dimethylpyrazol-4-yl)-2-keto-ethyl]-pyrazinoyl-amino]benzoic acid ethyl ester Formula: C27H32N6O4 MolecularWeight: 504.58078

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N(C(C2=CN(N=C2C)C)C(=O)NC3CCCCC3)C(=O)C4=NC=CN=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N(C(C2=CN(N=C2C)C)C(=O)NC3CCCCC3)C(=O)C4=NC=CN=C4

InChI

InChI=1S/C27H32N6O4/c1-4-37-27(36)19-10-12-21(13-11-19)33(26(35)23-16-28-14-15-29-23)24(22-17-32(3)31-18(22)2)25(34)30-20-8-6-5-7-9-20/h10-17,20,24H,4-9H2,1-3H3,(H,30,34)