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

Systemtic Name: 3-[4-[[[2-(4-methylpiperazin-1-yl)-2-thiophen-2-yl-ethyl]amino]methyl]-3-phenyl-pyrazol-1-yl]propanenitrile Openeye Name: 3-[4-[[[2-(4-methylpiperazin-1-yl)-2-(2-thienyl)ethyl]amino]methyl]-3-phenyl-pyrazol-1-yl]propanenitrile CAS Name: 3-[4-[[[2-(4-methyl-1-piperazinyl)-2-thiophen-2-ylethyl]amino]methyl]-3-phenyl-1-pyrazolyl]propanenitrile IUPAC Name: 3-[4-[[[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]amino]methyl]-3-phenylpyrazol-1-yl]propanenitrile Traditional Name: 3-[4-[[[2-(4-methylpiperazino)-2-(2-thienyl)ethyl]amino]methyl]-3-phenyl-pyrazol-1-yl]propionitrile Formula: C24H30N6S MolecularWeight: 434.6002

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(CNCC2=CN(N=C2C3=CC=CC=C3)CCC#N)C4=CC=CS4

Isomeric SMILES

CN1CCN(CC1)C(CNCC2=CN(N=C2C3=CC=CC=C3)CCC#N)C4=CC=CS4

InChI

InChI=1S/C24H30N6S/c1-28-12-14-29(15-13-28)22(23-9-5-16-31-23)18-26-17-21-19-30(11-6-10-25)27-24(21)20-7-3-2-4-8-20/h2-5,7-9,16,19,22,26H,6,11-15,17-18H2,1H3