1-[(4-chloranyl-2-nitro-phenyl)methyl]-N-pyrrolidin-3-yl-isoquinolin-5-amine

Systemtic Name: 1-[(4-chloranyl-2-nitro-phenyl)methyl]-N-pyrrolidin-3-yl-isoquinolin-5-amine Openeye Name: 1-[(4-chloro-2-nitro-phenyl)methyl]-N-pyrrolidin-3-yl-isoquinolin-5-amine CAS Name: 1-[(4-chloro-2-nitrophenyl)methyl]-N-(3-pyrrolidinyl)-5-isoquinolinamine IUPAC Name: 1-[(4-chloro-2-nitrophenyl)methyl]-N-pyrrolidin-3-ylisoquinolin-5-amine Traditional Name: [1-(4-chloro-2-nitro-benzyl)-5-isoquinolyl]-pyrrolidin-3-yl-amine Formula: C20H19ClN4O2 MolecularWeight: 382.84346

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC1NC2=CC=CC3=C2C=CN=C3CC4=C(C=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CNCC1NC2=CC=CC3=C2C=CN=C3CC4=C(C=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H19ClN4O2/c21-14-5-4-13(20(11-14)25(26)27)10-19-16-2-1-3-18(17(16)7-9-23-19)24-15-6-8-22-12-15/h1-5,7,9,11,15,22,24H,6,8,10,12H2