1-[3-[[6-(3-cyanophenyl)isoquinolin-8-yl]amino]propyl]urea

Systemtic Name: 1-[3-[[6-(3-cyanophenyl)isoquinolin-8-yl]amino]propyl]urea Openeye Name: 3-[[6-(3-cyanophenyl)-8-isoquinolyl]amino]propylurea CAS Name: 3-[[6-(3-cyanophenyl)-8-isoquinolinyl]amino]propylurea IUPAC Name: 3-[[6-(3-cyanophenyl)isoquinolin-8-yl]amino]propylurea Traditional Name: 3-[[6-(3-cyanophenyl)-8-isoquinolyl]amino]propylurea Formula: C20H19N5O MolecularWeight: 345.39776

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C2=CC(=C3C=NC=CC3=C2)NCCCNC(=O)N)C#N

Isomeric SMILES

C1=CC(=CC(=C1)C2=CC(=C3C=NC=CC3=C2)NCCCNC(=O)N)C#N

InChI

InChI=1S/C20H19N5O/c21-12-14-3-1-4-15(9-14)17-10-16-5-8-23-13-18(16)19(11-17)24-6-2-7-25-20(22)26/h1,3-5,8-11,13,24H,2,6-7H2,(H3,22,25,26)