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

Systemtic Name: N-(4-nitrophenyl)-4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)-1,4-diazepane-1-carboxamide Openeye Name: N-(4-nitrophenyl)-4-(2-oxo-2-pyrrolidin-1-yl-ethyl)-1,4-diazepane-1-carboxamide CAS Name: N-(4-nitrophenyl)-4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1,4-diazepane-1-carboxamide IUPAC Name: N-(4-nitrophenyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-(2-keto-2-pyrrolidino-ethyl)-N-(4-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=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H25N5O4/c24-17(21-9-1-2-10-21)14-20-8-3-11-22(13-12-20)18(25)19-15-4-6-16(7-5-15)23(26)27/h4-7H,1-3,8-14H2,(H,19,25)