methyl 2-[[1-(4-ethylpiperazin-1-yl)isoquinolin-4-yl]carbonylamino]benzoate

Systemtic Name: methyl 2-[[1-(4-ethylpiperazin-1-yl)isoquinolin-4-yl]carbonylamino]benzoate Openeye Name: methyl 2-[[1-(4-ethylpiperazin-1-yl)isoquinoline-4-carbonyl]amino]benzoate CAS Name: 2-[[[1-(4-ethyl-1-piperazinyl)-4-isoquinolinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[1-(4-ethylpiperazin-1-yl)isoquinoline-4-carbonyl]amino]benzoate Traditional Name: 2-[[1-(4-ethylpiperazino)isoquinoline-4-carbonyl]amino]benzoic acid methyl ester Formula: C24H26N4O3 MolecularWeight: 418.48824

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC=C(C3=CC=CC=C32)C(=O)NC4=CC=CC=C4C(=O)OC

Isomeric SMILES

CCN1CCN(CC1)C2=NC=C(C3=CC=CC=C32)C(=O)NC4=CC=CC=C4C(=O)OC

InChI

InChI=1S/C24H26N4O3/c1-3-27-12-14-28(15-13-27)22-18-9-5-4-8-17(18)20(16-25-22)23(29)26-21-11-7-6-10-19(21)24(30)31-2/h4-11,16H,3,12-15H2,1-2H3,(H,26,29)