N-[2-(azepan-1-yl)propyl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[2-(azepan-1-yl)propyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[2-(azepan-1-yl)propyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[2-(1-azepanyl)propyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[2-(azepan-1-yl)propyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[2-(azepan-1-yl)propyl]-3-nitro-4-pyrrolidino-benzamide Formula: C20H30N4O3 MolecularWeight: 374.4772

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)C1=CC(=C(C=C1)N2CCCC2)[N+](=O)[O-])N3CCCCCC3

Isomeric SMILES

CC(CNC(=O)C1=CC(=C(C=C1)N2CCCC2)[N+](=O)[O-])N3CCCCCC3

InChI

InChI=1S/C20H30N4O3/c1-16(22-10-4-2-3-5-11-22)15-21-20(25)17-8-9-18(19(14-17)24(26)27)23-12-6-7-13-23/h8-9,14,16H,2-7,10-13,15H2,1H3,(H,21,25)