1-[1-[3-(dimethylamino)-4-nitro-phenoxy]propan-2-yl]-3-isoquinolin-5-yl-urea

Systemtic Name: 1-[1-[3-(dimethylamino)-4-nitro-phenoxy]propan-2-yl]-3-isoquinolin-5-yl-urea Openeye Name: 1-[2-[3-(dimethylamino)-4-nitro-phenoxy]-1-methyl-ethyl]-3-(5-isoquinolyl)urea CAS Name: 1-[1-[3-(dimethylamino)-4-nitrophenoxy]propan-2-yl]-3-(5-isoquinolinyl)urea IUPAC Name: 1-[1-[3-(dimethylamino)-4-nitrophenoxy]propan-2-yl]-3-isoquinolin-5-ylurea Traditional Name: 1-[2-[3-(dimethylamino)-4-nitro-phenoxy]-1-methyl-ethyl]-3-(5-isoquinolyl)urea Formula: C21H23N5O4 MolecularWeight: 409.43842

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC1=CC(=C(C=C1)[N+](=O)[O-])N(C)C)NC(=O)NC2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CC(COC1=CC(=C(C=C1)[N+](=O)[O-])N(C)C)NC(=O)NC2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C21H23N5O4/c1-14(13-30-16-7-8-19(26(28)29)20(11-16)25(2)3)23-21(27)24-18-6-4-5-15-12-22-10-9-17(15)18/h4-12,14H,13H2,1-3H3,(H2,23,24,27)