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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)C(=O)NCC(C2=CC=CC=C2OC)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)C(=O)NCC(C2=CC=CC=C2OC)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C22H28N4O4/c1-24(2)18-11-10-16(14-19(18)26(28)29)22(27)23-15-20(25-12-6-7-13-25)17-8-4-5-9-21(17)30-3/h4-5,8-11,14,20H,6-7,12-13,15H2,1-3H3,(H,23,27)