1-(4-ethylpiperazin-1-yl)-3-[4-(oxan-4-ylmethyl)phenyl]isoquinoline

Systemtic Name: 1-(4-ethylpiperazin-1-yl)-3-[4-(oxan-4-ylmethyl)phenyl]isoquinoline Openeye Name: 1-(4-ethylpiperazin-1-yl)-3-[4-(tetrahydropyran-4-ylmethyl)phenyl]isoquinoline CAS Name: 1-(4-ethyl-1-piperazinyl)-3-[4-(4-oxanylmethyl)phenyl]isoquinoline IUPAC Name: 1-(4-ethylpiperazin-1-yl)-3-[4-(oxan-4-ylmethyl)phenyl]isoquinoline Traditional Name: 1-(4-ethylpiperazino)-3-[4-(tetrahydropyran-4-ylmethyl)phenyl]isoquinoline Formula: C27H33N3O MolecularWeight: 415.57042

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC=C(C=C4)CC5CCOCC5

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC=C(C=C4)CC5CCOCC5

InChI

InChI=1S/C27H33N3O/c1-2-29-13-15-30(16-14-29)27-25-6-4-3-5-24(25)20-26(28-27)23-9-7-21(8-10-23)19-22-11-17-31-18-12-22/h3-10,20,22H,2,11-19H2,1H3