3-[4-[[[2-(4-methoxyphenyl)-2-piperidin-1-yl-ethyl]amino]methyl]-3-phenyl-pyrazol-1-yl]propanenitrile

Systemtic Name: 3-[4-[[[2-(4-methoxyphenyl)-2-piperidin-1-yl-ethyl]amino]methyl]-3-phenyl-pyrazol-1-yl]propanenitrile Openeye Name: 3-[4-[[[2-(4-methoxyphenyl)-2-(1-piperidyl)ethyl]amino]methyl]-3-phenyl-pyrazol-1-yl]propanenitrile CAS Name: 3-[4-[[[2-(4-methoxyphenyl)-2-(1-piperidinyl)ethyl]amino]methyl]-3-phenyl-1-pyrazolyl]propanenitrile IUPAC Name: 3-[4-[[[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]methyl]-3-phenylpyrazol-1-yl]propanenitrile Traditional Name: 3-[4-[[[2-(4-methoxyphenyl)-2-piperidino-ethyl]amino]methyl]-3-phenyl-pyrazol-1-yl]propionitrile Formula: C27H33N5O MolecularWeight: 443.58382

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNCC2=CN(N=C2C3=CC=CC=C3)CCC#N)N4CCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)C(CNCC2=CN(N=C2C3=CC=CC=C3)CCC#N)N4CCCCC4

InChI

InChI=1S/C27H33N5O/c1-33-25-13-11-22(12-14-25)26(31-16-6-3-7-17-31)20-29-19-24-21-32(18-8-15-28)30-27(24)23-9-4-2-5-10-23/h2,4-5,9-14,21,26,29H,3,6-8,16-20H2,1H3