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

Systemtic Name: [1-(4-methoxyphenyl)-5-piperidin-4-yl-pyrazol-4-yl]-[4-(phenylmethyl)piperazin-1-yl]methanone Openeye Name: (4-benzylpiperazin-1-yl)-[1-(4-methoxyphenyl)-5-(4-piperidyl)pyrazol-4-yl]methanone CAS Name: [1-(4-methoxyphenyl)-5-(4-piperidinyl)-4-pyrazolyl]-[4-(phenylmethyl)-1-piperazinyl]methanone IUPAC Name: (4-benzylpiperazin-1-yl)-[1-(4-methoxyphenyl)-5-piperidin-4-ylpyrazol-4-yl]methanone Traditional Name: (4-benzylpiperazino)-[1-(4-methoxyphenyl)-5-(4-piperidyl)pyrazol-4-yl]methanone Formula: C27H33N5O2 MolecularWeight: 459.58322

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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)C5CCNCC5

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=C(C=N2)C(=O)N3CCN(CC3)CC4=CC=CC=C4)C5CCNCC5

InChI

InChI=1S/C27H33N5O2/c1-34-24-9-7-23(8-10-24)32-26(22-11-13-28-14-12-22)25(19-29-32)27(33)31-17-15-30(16-18-31)20-21-5-3-2-4-6-21/h2-10,19,22,28H,11-18,20H2,1H3