[1-(4-methoxyphenyl)-5-pyrrol-1-yl-pyrazol-4-yl]-[4-(phenylmethyl)piperazin-1-yl]methanone

Systemtic Name: [1-(4-methoxyphenyl)-5-pyrrol-1-yl-pyrazol-4-yl]-[4-(phenylmethyl)piperazin-1-yl]methanone Openeye Name: (4-benzylpiperazin-1-yl)-[1-(4-methoxyphenyl)-5-pyrrol-1-yl-pyrazol-4-yl]methanone CAS Name: [1-(4-methoxyphenyl)-5-(1-pyrrolyl)-4-pyrazolyl]-[4-(phenylmethyl)-1-piperazinyl]methanone IUPAC Name: (4-benzylpiperazin-1-yl)-[1-(4-methoxyphenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone Traditional Name: (4-benzylpiperazino)-[1-(4-methoxyphenyl)-5-pyrrol-1-yl-pyrazol-4-yl]methanone Formula: C26H27N5O2 MolecularWeight: 441.52488

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=C(C=N2)C(=O)N3CCN(CC3)CC4=CC=CC=C4)N5C=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=C(C=N2)C(=O)N3CCN(CC3)CC4=CC=CC=C4)N5C=CC=C5

InChI

InChI=1S/C26H27N5O2/c1-33-23-11-9-22(10-12-23)31-25(29-13-5-6-14-29)24(19-27-31)26(32)30-17-15-28(16-18-30)20-21-7-3-2-4-8-21/h2-14,19H,15-18,20H2,1H3