1-isoquinolin-5-yl-3-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]urea

Systemtic Name: 1-isoquinolin-5-yl-3-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]urea Openeye Name: 1-(5-isoquinolyl)-3-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]urea CAS Name: 1-(5-isoquinolinyl)-3-[4-methoxy-3-(4-methyl-1-piperazinyl)phenyl]urea IUPAC Name: 1-isoquinolin-5-yl-3-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]urea Traditional Name: 1-(5-isoquinolyl)-3-[4-methoxy-3-(4-methylpiperazino)phenyl]urea Formula: C22H25N5O2 MolecularWeight: 391.4662

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=CC(=C2)NC(=O)NC3=CC=CC4=C3C=CN=C4)OC

Isomeric SMILES

CN1CCN(CC1)C2=C(C=CC(=C2)NC(=O)NC3=CC=CC4=C3C=CN=C4)OC

InChI

InChI=1S/C22H25N5O2/c1-26-10-12-27(13-11-26)20-14-17(6-7-21(20)29-2)24-22(28)25-19-5-3-4-16-15-23-9-8-18(16)19/h3-9,14-15H,10-13H2,1-2H3,(H2,24,25,28)