4-(dimethylamino)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-3-nitro-benzamide

Systemtic Name: 4-(dimethylamino)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-3-nitro-benzamide Openeye Name: 4-(dimethylamino)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-3-nitro-benzamide CAS Name: 4-(dimethylamino)-N-[2-(3-methoxyphenyl)-2-(1-pyrrolidinyl)ethyl]-3-nitrobenzamide IUPAC Name: 4-(dimethylamino)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-nitrobenzamide Traditional Name: 4-(dimethylamino)-N-[2-(3-methoxyphenyl)-2-pyrrolidino-ethyl]-3-nitro-benzamide Formula: C22H28N4O4 MolecularWeight: 412.48212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)C(=O)NCC(C2=CC(=CC=C2)OC)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)C(=O)NCC(C2=CC(=CC=C2)OC)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C22H28N4O4/c1-24(2)19-10-9-17(14-20(19)26(28)29)22(27)23-15-21(25-11-4-5-12-25)16-7-6-8-18(13-16)30-3/h6-10,13-14,21H,4-5,11-12,15H2,1-3H3,(H,23,27)