N-(3-nitrophenyl)-4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)-1,4-diazepane-1-carboxamide

Systemtic Name: N-(3-nitrophenyl)-4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)-1,4-diazepane-1-carboxamide Openeye Name: N-(3-nitrophenyl)-4-(2-oxo-2-pyrrolidin-1-yl-ethyl)-1,4-diazepane-1-carboxamide CAS Name: N-(3-nitrophenyl)-4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1,4-diazepane-1-carboxamide IUPAC Name: N-(3-nitrophenyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-(2-keto-2-pyrrolidino-ethyl)-N-(3-nitrophenyl)-1,4-diazepane-1-carboxamide Formula: C18H25N5O4 MolecularWeight: 375.4222

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CN2CCCN(CC2)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C(=O)CN2CCCN(CC2)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H25N5O4/c24-17(21-8-1-2-9-21)14-20-7-4-10-22(12-11-20)18(25)19-15-5-3-6-16(13-15)23(26)27/h3,5-6,13H,1-2,4,7-12,14H2,(H,19,25)