N-[(6-morpholin-4-ylpyridin-3-yl)methyl]-1-(phenylmethyl)-3-thiophen-2-yl-pyrazole-4-carboxamide

Systemtic Name: N-[(6-morpholin-4-ylpyridin-3-yl)methyl]-1-(phenylmethyl)-3-thiophen-2-yl-pyrazole-4-carboxamide Openeye Name: 1-benzyl-N-[(6-morpholino-3-pyridyl)methyl]-3-(2-thienyl)pyrazole-4-carboxamide CAS Name: N-[[6-(4-morpholinyl)-3-pyridinyl]methyl]-1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-N-[(6-morpholin-4-ylpyridin-3-yl)methyl]-3-thiophen-2-ylpyrazole-4-carboxamide Traditional Name: 1-benzyl-N-[(6-morpholino-3-pyridyl)methyl]-3-(2-thienyl)pyrazole-4-carboxamide Formula: C25H25N5O2S MolecularWeight: 459.5633

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC=C(C=C2)CNC(=O)C3=CN(N=C3C4=CC=CS4)CC5=CC=CC=C5

Isomeric SMILES

C1COCCN1C2=NC=C(C=C2)CNC(=O)C3=CN(N=C3C4=CC=CS4)CC5=CC=CC=C5

InChI

InChI=1S/C25H25N5O2S/c31-25(27-16-20-8-9-23(26-15-20)29-10-12-32-13-11-29)21-18-30(17-19-5-2-1-3-6-19)28-24(21)22-7-4-14-33-22/h1-9,14-15,18H,10-13,16-17H2,(H,27,31)