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

Systemtic Name: N-[2-(2-chlorophenyl)-2-pyrrolidin-1-yl-ethyl]-4-(dimethylamino)-3-nitro-benzamide Openeye Name: N-[2-(2-chlorophenyl)-2-pyrrolidin-1-yl-ethyl]-4-(dimethylamino)-3-nitro-benzamide CAS Name: N-[2-(2-chlorophenyl)-2-(1-pyrrolidinyl)ethyl]-4-(dimethylamino)-3-nitrobenzamide IUPAC Name: N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-(dimethylamino)-3-nitrobenzamide Traditional Name: N-[2-(2-chlorophenyl)-2-pyrrolidino-ethyl]-4-(dimethylamino)-3-nitro-benzamide Formula: C21H25ClN4O3 MolecularWeight: 416.9012

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)C(=O)NCC(C2=CC=CC=C2Cl)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)C(=O)NCC(C2=CC=CC=C2Cl)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H25ClN4O3/c1-24(2)18-10-9-15(13-19(18)26(28)29)21(27)23-14-20(25-11-5-6-12-25)16-7-3-4-8-17(16)22/h3-4,7-10,13,20H,5-6,11-12,14H2,1-2H3,(H,23,27)