1-(4-ethylpiperazin-1-yl)-3-[4-(2-imidazol-1-ylethoxy)phenyl]isoquinoline

Systemtic Name: 1-(4-ethylpiperazin-1-yl)-3-[4-(2-imidazol-1-ylethoxy)phenyl]isoquinoline Openeye Name: 1-(4-ethylpiperazin-1-yl)-3-[4-(2-imidazol-1-ylethoxy)phenyl]isoquinoline CAS Name: 1-(4-ethyl-1-piperazinyl)-3-[4-[2-(1-imidazolyl)ethoxy]phenyl]isoquinoline IUPAC Name: 1-(4-ethylpiperazin-1-yl)-3-[4-(2-imidazol-1-ylethoxy)phenyl]isoquinoline Traditional Name: 1-(4-ethylpiperazino)-3-[4-(2-imidazol-1-ylethoxy)phenyl]isoquinoline Formula: C26H29N5O MolecularWeight: 427.54136

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC=C(C=C4)OCCN5C=CN=C5

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC=C(C=C4)OCCN5C=CN=C5

InChI

InChI=1S/C26H29N5O/c1-2-29-13-15-31(16-14-29)26-24-6-4-3-5-22(24)19-25(28-26)21-7-9-23(10-8-21)32-18-17-30-12-11-27-20-30/h3-12,19-20H,2,13-18H2,1H3