2-[4-(4-ethanoyl-2-nitro-phenyl)-1,4-diazepan-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-(4-ethanoyl-2-nitro-phenyl)-1,4-diazepan-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-(4-acetyl-2-nitro-phenyl)-1,4-diazepan-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-(4-acetyl-2-nitrophenyl)-1,4-diazepan-1-yl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-(4-acetyl-2-nitrophenyl)-1,4-diazepan-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-(4-acetyl-2-nitro-phenyl)-1,4-diazepan-1-yl]-1-pyrrolidino-ethanone Formula: C19H26N4O4 MolecularWeight: 374.43414

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CCCN(CC2)CC(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CCCN(CC2)CC(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H26N4O4/c1-15(24)16-5-6-17(18(13-16)23(26)27)21-10-4-7-20(11-12-21)14-19(25)22-8-2-3-9-22/h5-6,13H,2-4,7-12,14H2,1H3