N-(5-imidazol-1-yl-2-nitro-phenyl)-1-(phenylmethyl)pyrrolidin-3-amine

Systemtic Name: N-(5-imidazol-1-yl-2-nitro-phenyl)-1-(phenylmethyl)pyrrolidin-3-amine Openeye Name: 1-benzyl-N-(5-imidazol-1-yl-2-nitro-phenyl)pyrrolidin-3-amine CAS Name: N-[5-(1-imidazolyl)-2-nitrophenyl]-1-(phenylmethyl)-3-pyrrolidinamine IUPAC Name: 1-benzyl-N-(5-imidazol-1-yl-2-nitrophenyl)pyrrolidin-3-amine Traditional Name: (1-benzylpyrrolidin-3-yl)-(5-imidazol-1-yl-2-nitro-phenyl)amine Formula: C20H21N5O2 MolecularWeight: 363.41304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1NC2=C(C=CC(=C2)N3C=CN=C3)[N+](=O)[O-])CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC1NC2=C(C=CC(=C2)N3C=CN=C3)[N+](=O)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C20H21N5O2/c26-25(27)20-7-6-18(24-11-9-21-15-24)12-19(20)22-17-8-10-23(14-17)13-16-4-2-1-3-5-16/h1-7,9,11-12,15,17,22H,8,10,13-14H2