5-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propoxy]-1-methyl-pyrazole-3-carboxamide

Systemtic Name: 5-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propoxy]-1-methyl-pyrazole-3-carboxamide Openeye Name: 5-[3-[4-(benzothiophen-4-yl)piperazin-1-yl]propoxy]-1-methyl-pyrazole-3-carboxamide CAS Name: 5-[3-[4-(1-benzothiophen-4-yl)-1-piperazinyl]propoxy]-1-methyl-3-pyrazolecarboxamide IUPAC Name: 5-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propoxy]-1-methylpyrazole-3-carboxamide Traditional Name: 5-[3-[4-(benzothiophen-4-yl)piperazino]propoxy]-1-methyl-pyrazole-3-carboxamide Formula: C20H25N5O2S MolecularWeight: 399.5098

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=N1)C(=O)N)OCCCN2CCN(CC2)C3=C4C=CSC4=CC=C3

Isomeric SMILES

CN1C(=CC(=N1)C(=O)N)OCCCN2CCN(CC2)C3=C4C=CSC4=CC=C3

InChI

InChI=1S/C20H25N5O2S/c1-23-19(14-16(22-23)20(21)26)27-12-3-7-24-8-10-25(11-9-24)17-4-2-5-18-15(17)6-13-28-18/h2,4-6,13-14H,3,7-12H2,1H3,(H2,21,26)