3-(1-phenylpyrazol-4-yl)-1-[4-(quinolin-8-ylmethyl)piperazin-1-yl]propan-1-one

Systemtic Name: 3-(1-phenylpyrazol-4-yl)-1-[4-(quinolin-8-ylmethyl)piperazin-1-yl]propan-1-one Openeye Name: 3-(1-phenylpyrazol-4-yl)-1-[4-(8-quinolylmethyl)piperazin-1-yl]propan-1-one CAS Name: 3-(1-phenyl-4-pyrazolyl)-1-[4-(8-quinolinylmethyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(1-phenylpyrazol-4-yl)-1-[4-(quinolin-8-ylmethyl)piperazin-1-yl]propan-1-one Traditional Name: 3-(1-phenylpyrazol-4-yl)-1-[4-(8-quinolylmethyl)piperazino]propan-1-one Formula: C26H27N5O MolecularWeight: 425.52548

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC3=C2N=CC=C3)C(=O)CCC4=CN(N=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC=CC3=C2N=CC=C3)C(=O)CCC4=CN(N=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H27N5O/c32-25(12-11-21-18-28-31(19-21)24-9-2-1-3-10-24)30-16-14-29(15-17-30)20-23-7-4-6-22-8-5-13-27-26(22)23/h1-10,13,18-19H,11-12,14-17,20H2