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

Systemtic Name: [1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone Openeye Name: [1-benzyl-3-(2-thienyl)pyrazol-4-yl]-[4-(8-quinolylmethyl)piperazin-1-yl]methanone CAS Name: [1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolyl]-[4-(8-quinolinylmethyl)-1-piperazinyl]methanone IUPAC Name: (1-benzyl-3-thiophen-2-ylpyrazol-4-yl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone Traditional Name: [1-benzyl-3-(2-thienyl)pyrazol-4-yl]-[4-(8-quinolylmethyl)piperazino]methanone Formula: C29H27N5OS MolecularWeight: 493.62258

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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)CC6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1CC2=CC=CC3=C2N=CC=C3)C(=O)C4=CN(N=C4C5=CC=CS5)CC6=CC=CC=C6

InChI

InChI=1S/C29H27N5OS/c35-29(25-21-34(19-22-7-2-1-3-8-22)31-28(25)26-12-6-18-36-26)33-16-14-32(15-17-33)20-24-10-4-9-23-11-5-13-30-27(23)24/h1-13,18,21H,14-17,19-20H2