1-[2,3-bis(chloranyl)phenyl]-3-[(3R)-1-isoquinolin-5-ylpyrrolidin-3-yl]urea

Systemtic Name: 1-[2,3-bis(chloranyl)phenyl]-3-[(3R)-1-isoquinolin-5-ylpyrrolidin-3-yl]urea Openeye Name: 1-(2,3-dichlorophenyl)-3-[(3R)-1-(5-isoquinolyl)pyrrolidin-3-yl]urea CAS Name: 1-(2,3-dichlorophenyl)-3-[(3R)-1-(5-isoquinolinyl)-3-pyrrolidinyl]urea IUPAC Name: 1-(2,3-dichlorophenyl)-3-[(3R)-1-isoquinolin-5-ylpyrrolidin-3-yl]urea Traditional Name: 1-(2,3-dichlorophenyl)-3-[(3R)-1-(5-isoquinolyl)pyrrolidin-3-yl]urea Formula: C20H18Cl2N4O MolecularWeight: 401.28912

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1NC(=O)NC2=C(C(=CC=C2)Cl)Cl)C3=CC=CC4=C3C=CN=C4

Isomeric SMILES

C1CN(C[C@@H]1NC(=O)NC2=C(C(=CC=C2)Cl)Cl)C3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C20H18Cl2N4O/c21-16-4-2-5-17(19(16)22)25-20(27)24-14-8-10-26(12-14)18-6-1-3-13-11-23-9-7-15(13)18/h1-7,9,11,14H,8,10,12H2,(H2,24,25,27)/t14-/m1/s1