ethyl 5-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]-2,3-dihydro-1H-indene-2-carboxylate

Systemtic Name: ethyl 5-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]-2,3-dihydro-1H-indene-2-carboxylate Openeye Name: ethyl 5-[1-(4-ethylpiperazin-1-yl)-3-isoquinolyl]indane-2-carboxylate CAS Name: 5-[1-(4-ethyl-1-piperazinyl)-3-isoquinolinyl]-2,3-dihydro-1H-indene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]-2,3-dihydro-1H-indene-2-carboxylate Traditional Name: 5-[1-(4-ethylpiperazino)-3-isoquinolyl]indane-2-carboxylic acid ethyl ester Formula: C27H31N3O2 MolecularWeight: 429.55394

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC5=C(CC(C5)C(=O)OCC)C=C4

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC5=C(CC(C5)C(=O)OCC)C=C4

InChI

InChI=1S/C27H31N3O2/c1-3-29-11-13-30(14-12-29)26-24-8-6-5-7-20(24)18-25(28-26)21-10-9-19-15-23(17-22(19)16-21)27(31)32-4-2/h5-10,16,18,23H,3-4,11-15,17H2,1-2H3