N-[[4-(diethylaminomethyl)phenyl]methyl]-5-nitro-2-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[[4-(diethylaminomethyl)phenyl]methyl]-5-nitro-2-pyrrolidin-1-yl-benzamide Openeye Name: N-[[4-(diethylaminomethyl)phenyl]methyl]-5-nitro-2-pyrrolidin-1-yl-benzamide CAS Name: N-[[4-(diethylaminomethyl)phenyl]methyl]-5-nitro-2-(1-pyrrolidinyl)benzamide IUPAC Name: N-[[4-(diethylaminomethyl)phenyl]methyl]-5-nitro-2-pyrrolidin-1-ylbenzamide Traditional Name: N-[4-(diethylaminomethyl)benzyl]-5-nitro-2-pyrrolidino-benzamide Formula: C23H30N4O3 MolecularWeight: 410.5093

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N4O3/c1-3-25(4-2)17-19-9-7-18(8-10-19)16-24-23(28)21-15-20(27(29)30)11-12-22(21)26-13-5-6-14-26/h7-12,15H,3-6,13-14,16-17H2,1-2H3,(H,24,28)