[4-(2-phenoxyethyl)piperazin-1-yl]-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]methanone

Systemtic Name: [4-(2-phenoxyethyl)piperazin-1-yl]-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]methanone Openeye Name: [1-benzyl-3-(3-pyridyl)pyrazol-4-yl]-[4-(2-phenoxyethyl)piperazin-1-yl]methanone CAS Name: [4-(2-phenoxyethyl)-1-piperazinyl]-[1-(phenylmethyl)-3-(3-pyridinyl)-4-pyrazolyl]methanone IUPAC Name: (1-benzyl-3-pyridin-3-ylpyrazol-4-yl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone Traditional Name: [1-benzyl-3-(3-pyridyl)pyrazol-4-yl]-[4-(2-phenoxyethyl)piperazino]methanone Formula: C28H29N5O2 MolecularWeight: 467.56216

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCOC2=CC=CC=C2)C(=O)C3=CN(N=C3C4=CN=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CCOC2=CC=CC=C2)C(=O)C3=CN(N=C3C4=CN=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C28H29N5O2/c34-28(32-16-14-31(15-17-32)18-19-35-25-11-5-2-6-12-25)26-22-33(21-23-8-3-1-4-9-23)30-27(26)24-10-7-13-29-20-24/h1-13,20,22H,14-19,21H2