N-(3-methoxypropyl)-2-[4-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]carbonylpiperazin-1-yl]ethanamide

Systemtic Name: N-(3-methoxypropyl)-2-[4-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]carbonylpiperazin-1-yl]ethanamide Openeye Name: 2-[4-[1-benzyl-3-(2-thienyl)pyrazole-4-carbonyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide CAS Name: N-(3-methoxypropyl)-2-[4-[oxo-[1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolyl]methyl]-1-piperazinyl]acetamide IUPAC Name: 2-[4-(1-benzyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperazin-1-yl]-N-(3-methoxypropyl)acetamide Traditional Name: 2-[4-[1-benzyl-3-(2-thienyl)pyrazole-4-carbonyl]piperazino]-N-(3-methoxypropyl)acetamide Formula: C25H31N5O3S MolecularWeight: 481.61034

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=O)CN1CCN(CC1)C(=O)C2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4

Isomeric SMILES

COCCCNC(=O)CN1CCN(CC1)C(=O)C2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4

InChI

InChI=1S/C25H31N5O3S/c1-33-15-6-10-26-23(31)19-28-11-13-29(14-12-28)25(32)21-18-30(17-20-7-3-2-4-8-20)27-24(21)22-9-5-16-34-22/h2-5,7-9,16,18H,6,10-15,17,19H2,1H3,(H,26,31)