(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone

Systemtic Name: (1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone Openeye Name: [1-phenyl-3-(2-thienyl)pyrazol-4-yl]-[4-(8-quinolylmethyl)piperazin-1-yl]methanone CAS Name: (1-phenyl-3-thiophen-2-yl-4-pyrazolyl)-[4-(8-quinolinylmethyl)-1-piperazinyl]methanone IUPAC Name: (1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone Traditional Name: [1-phenyl-3-(2-thienyl)pyrazol-4-yl]-[4-(8-quinolylmethyl)piperazino]methanone Formula: C28H25N5OS MolecularWeight: 479.596

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC3=C2N=CC=C3)C(=O)C4=CN(N=C4C5=CC=CS5)C6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1CC2=CC=CC3=C2N=CC=C3)C(=O)C4=CN(N=C4C5=CC=CS5)C6=CC=CC=C6

InChI

InChI=1S/C28H25N5OS/c34-28(24-20-33(23-10-2-1-3-11-23)30-27(24)25-12-6-18-35-25)32-16-14-31(15-17-32)19-22-8-4-7-21-9-5-13-29-26(21)22/h1-13,18,20H,14-17,19H2