N-(4-chloranyl-3-nitro-phenyl)-2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)-1,4-diazepan-1-yl]-2-phenyl-ethanamide

Systemtic Name: N-(4-chloranyl-3-nitro-phenyl)-2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)-1,4-diazepan-1-yl]-2-phenyl-ethanamide Openeye Name: N-(4-chloro-3-nitro-phenyl)-2-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)-1,4-diazepan-1-yl]-2-phenyl-acetamide CAS Name: N-(4-chloro-3-nitrophenyl)-2-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1,4-diazepan-1-yl]-2-phenylacetamide IUPAC Name: N-(4-chloro-3-nitrophenyl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-diazepan-1-yl]-2-phenylacetamide Traditional Name: N-(4-chloro-3-nitro-phenyl)-2-[4-(2-keto-2-pyrrolidino-ethyl)-1,4-diazepan-1-yl]-2-phenyl-acetamide Formula: C25H30ClN5O4 MolecularWeight: 499.9898

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CN2CCCN(CC2)C(C3=CC=CC=C3)C(=O)NC4=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C(=O)CN2CCCN(CC2)C(C3=CC=CC=C3)C(=O)NC4=CC(=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C25H30ClN5O4/c26-21-10-9-20(17-22(21)31(34)35)27-25(33)24(19-7-2-1-3-8-19)30-14-6-11-28(15-16-30)18-23(32)29-12-4-5-13-29/h1-3,7-10,17,24H,4-6,11-16,18H2,(H,27,33)