methyl N-[[3-(4-piperazin-1-yl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazol-5-yl]methyl]carbamate

Systemtic Name: methyl N-[[3-(4-piperazin-1-yl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazol-5-yl]methyl]carbamate Openeye Name: methyl N-[[3-[4-piperazin-1-yl-2-(3-pyridyl)thiazol-5-yl]-1H-pyrazol-5-yl]methyl]carbamate CAS Name: N-[[3-[4-(1-piperazinyl)-2-(3-pyridinyl)-5-thiazolyl]-1H-pyrazol-5-yl]methyl]carbamic acid methyl ester IUPAC Name: methyl N-[[3-(4-piperazin-1-yl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazol-5-yl]methyl]carbamate Traditional Name: N-[[3-[4-piperazino-2-(3-pyridyl)thiazol-5-yl]-1H-pyrazol-5-yl]methyl]carbamic acid methyl ester Formula: C18H21N7O2S MolecularWeight: 399.47004

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NCC1=CC(=NN1)C2=C(N=C(S2)C3=CN=CC=C3)N4CCNCC4

Isomeric SMILES

COC(=O)NCC1=CC(=NN1)C2=C(N=C(S2)C3=CN=CC=C3)N4CCNCC4

InChI

InChI=1S/C18H21N7O2S/c1-27-18(26)21-11-13-9-14(24-23-13)15-16(25-7-5-19-6-8-25)22-17(28-15)12-3-2-4-20-10-12/h2-4,9-10,19H,5-8,11H2,1H3,(H,21,26)(H,23,24)