1-(4-ethylpiperazin-1-yl)-3-[1-(2-phenylmethoxyethyl)pyrazol-3-yl]isoquinoline

Systemtic Name: 1-(4-ethylpiperazin-1-yl)-3-[1-(2-phenylmethoxyethyl)pyrazol-3-yl]isoquinoline Openeye Name: 3-[1-(2-benzyloxyethyl)pyrazol-3-yl]-1-(4-ethylpiperazin-1-yl)isoquinoline CAS Name: 1-(4-ethyl-1-piperazinyl)-3-[1-(2-phenylmethoxyethyl)-3-pyrazolyl]isoquinoline IUPAC Name: 1-(4-ethylpiperazin-1-yl)-3-[1-(2-phenylmethoxyethyl)pyrazol-3-yl]isoquinoline Traditional Name: 3-[1-(2-benzoxyethyl)pyrazol-3-yl]-1-(4-ethylpiperazino)isoquinoline Formula: C27H31N5O MolecularWeight: 441.56794

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=NN(C=C4)CCOCC5=CC=CC=C5

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=NN(C=C4)CCOCC5=CC=CC=C5

InChI

InChI=1S/C27H31N5O/c1-2-30-14-16-31(17-15-30)27-24-11-7-6-10-23(24)20-26(28-27)25-12-13-32(29-25)18-19-33-21-22-8-4-3-5-9-22/h3-13,20H,2,14-19,21H2,1H3