N-[2-(4-dimethylaminophenyl)-2-pyrrolidin-1-yl-ethyl]-4-methyl-3-nitro-benzamide

Systemtic Name: N-[2-(4-dimethylaminophenyl)-2-pyrrolidin-1-yl-ethyl]-4-methyl-3-nitro-benzamide Openeye Name: N-[2-(4-dimethylaminophenyl)-2-pyrrolidin-1-yl-ethyl]-4-methyl-3-nitro-benzamide CAS Name: N-[2-(4-dimethylaminophenyl)-2-(1-pyrrolidinyl)ethyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ylethyl]-4-methyl-3-nitrobenzamide Traditional Name: N-[2-(4-dimethylaminophenyl)-2-pyrrolidino-ethyl]-4-methyl-3-nitro-benzamide Formula: C22H28N4O3 MolecularWeight: 396.48272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCC(C2=CC=C(C=C2)N(C)C)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCC(C2=CC=C(C=C2)N(C)C)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C22H28N4O3/c1-16-6-7-18(14-20(16)26(28)29)22(27)23-15-21(25-12-4-5-13-25)17-8-10-19(11-9-17)24(2)3/h6-11,14,21H,4-5,12-13,15H2,1-3H3,(H,23,27)