1-[4-[(2-chloranyl-5-nitro-phenyl)-(4-pyrrolidin-1-ylphenyl)methyl]phenyl]pyrrolidine

Systemtic Name: 1-[4-[(2-chloranyl-5-nitro-phenyl)-(4-pyrrolidin-1-ylphenyl)methyl]phenyl]pyrrolidine Openeye Name: 1-[4-[(2-chloro-5-nitro-phenyl)-(4-pyrrolidin-1-ylphenyl)methyl]phenyl]pyrrolidine CAS Name: 1-[4-[(2-chloro-5-nitrophenyl)-[4-(1-pyrrolidinyl)phenyl]methyl]phenyl]pyrrolidine IUPAC Name: 1-[4-[(2-chloro-5-nitrophenyl)-(4-pyrrolidin-1-ylphenyl)methyl]phenyl]pyrrolidine Traditional Name: 1-[4-[(2-chloro-5-nitro-phenyl)-(4-pyrrolidinophenyl)methyl]phenyl]pyrrolidine Formula: C27H28ClN3O2 MolecularWeight: 461.98312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=C(C=C2)C(C3=CC=C(C=C3)N4CCCC4)C5=C(C=CC(=C5)[N+](=O)[O-])Cl

Isomeric SMILES

C1CCN(C1)C2=CC=C(C=C2)C(C3=CC=C(C=C3)N4CCCC4)C5=C(C=CC(=C5)[N+](=O)[O-])Cl

InChI

InChI=1S/C27H28ClN3O2/c28-26-14-13-24(31(32)33)19-25(26)27(20-5-9-22(10-6-20)29-15-1-2-16-29)21-7-11-23(12-8-21)30-17-3-4-18-30/h5-14,19,27H,1-4,15-18H2