(E)-1-(4-morpholin-4-ylcarbonylpiperidin-1-yl)-3-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]prop-2-en-1-one

Systemtic Name: (E)-1-(4-morpholin-4-ylcarbonylpiperidin-1-yl)-3-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]prop-2-en-1-one Openeye Name: (E)-3-[1-benzyl-3-(2-thienyl)pyrazol-4-yl]-1-[4-(morpholine-4-carbonyl)-1-piperidyl]prop-2-en-1-one CAS Name: (E)-1-[4-[4-morpholinyl(oxo)methyl]-1-piperidinyl]-3-[1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolyl]-2-propen-1-one IUPAC Name: (E)-3-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-[1-benzyl-3-(2-thienyl)pyrazol-4-yl]-1-[4-(morpholine-4-carbonyl)piperidino]prop-2-en-1-one Formula: C27H30N4O3S MolecularWeight: 490.6171

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CCOCC2)C(=O)C=CC3=CN(N=C3C4=CC=CS4)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1C(=O)N2CCOCC2)C(=O)/C=C/C3=CN(N=C3C4=CC=CS4)CC5=CC=CC=C5

InChI

InChI=1S/C27H30N4O3S/c32-25(29-12-10-22(11-13-29)27(33)30-14-16-34-17-15-30)9-8-23-20-31(19-21-5-2-1-3-6-21)28-26(23)24-7-4-18-35-24/h1-9,18,20,22H,10-17,19H2/b9-8+