ethyl 2-[1-[3-(4-tert-butylphenyl)-1-(4-carbamimidoylphenyl)-2-methyl-5-oxidanylidene-pyrazol-4-yl]carbonylpiperidin-4-yl]oxyethanoate

Systemtic Name: ethyl 2-[1-[3-(4-tert-butylphenyl)-1-(4-carbamimidoylphenyl)-2-methyl-5-oxidanylidene-pyrazol-4-yl]carbonylpiperidin-4-yl]oxyethanoate Openeye Name: ethyl 2-[[1-[3-(4-tert-butylphenyl)-1-(4-carbamimidoylphenyl)-2-methyl-5-oxo-pyrazole-4-carbonyl]-4-piperidyl]oxy]acetate CAS Name: 2-[[1-[[3-(4-tert-butylphenyl)-1-(4-carbamimidoylphenyl)-2-methyl-5-oxo-4-pyrazolyl]-oxomethyl]-4-piperidinyl]oxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[1-[3-(4-tert-butylphenyl)-1-(4-carbamimidoylphenyl)-2-methyl-5-oxopyrazole-4-carbonyl]piperidin-4-yl]oxyacetate Traditional Name: 2-[[1-[1-(4-amidinophenyl)-3-(4-tert-butylphenyl)-5-keto-2-methyl-3-pyrazoline-4-carbonyl]-4-piperidyl]oxy]acetic acid ethyl ester Formula: C31H39N5O5 MolecularWeight: 561.67186

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1CCN(CC1)C(=O)C2=C(N(N(C2=O)C3=CC=C(C=C3)C(=N)N)C)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CCOC(=O)COC1CCN(CC1)C(=O)C2=C(N(N(C2=O)C3=CC=C(C=C3)C(=N)N)C)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C31H39N5O5/c1-6-40-25(37)19-41-24-15-17-35(18-16-24)29(38)26-27(20-7-11-22(12-8-20)31(2,3)4)34(5)36(30(26)39)23-13-9-21(10-14-23)28(32)33/h7-14,24H,6,15-19H2,1-5H3,(H3,32,33)