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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1NC2=CC=CC3=C2C=CN=C3)CC4=C(C=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC1NC2=CC=CC3=C2C=CN=C3)CC4=C(C=C(C=C4)Cl)[N+](=O)[O-]

InChI

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