[3-[[2-(1,2-dihydropyridin-4-ylmethylamino)phenyl]carbonylamino]isoquinolin-7-yl] carbamate

Systemtic Name: [3-[[2-(1,2-dihydropyridin-4-ylmethylamino)phenyl]carbonylamino]isoquinolin-7-yl] carbamate Openeye Name: [3-[[2-(1,2-dihydropyridin-4-ylmethylamino)benzoyl]amino]-7-isoquinolyl] carbamate CAS Name: carbamic acid [3-[[[2-(1,2-dihydropyridin-4-ylmethylamino)phenyl]-oxomethyl]amino]-7-isoquinolinyl] ester IUPAC Name: [3-[[2-(1,2-dihydropyridin-4-ylmethylamino)benzoyl]amino]isoquinolin-7-yl] carbamate Traditional Name: carbamic acid [3-[[2-(1,2-dihydropyridin-4-ylmethylamino)benzoyl]amino]-7-isoquinolyl] ester Formula: C23H21N5O3 MolecularWeight: 415.44454

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(C=CN1)CNC2=CC=CC=C2C(=O)NC3=NC=C4C=C(C=CC4=C3)OC(=O)N

Isomeric SMILES

C1C=C(C=CN1)CNC2=CC=CC=C2C(=O)NC3=NC=C4C=C(C=CC4=C3)OC(=O)N

InChI

InChI=1S/C23H21N5O3/c24-23(30)31-18-6-5-16-12-21(27-14-17(16)11-18)28-22(29)19-3-1-2-4-20(19)26-13-15-7-9-25-10-8-15/h1-9,11-12,14,25-26H,10,13H2,(H2,24,30)(H,27,28,29)