N-[(4-fluorophenyl)methyl]-4-(4-nitrophenyl)carbonyl-1,4-diazepane-1-carboxamide

Systemtic Name: N-[(4-fluorophenyl)methyl]-4-(4-nitrophenyl)carbonyl-1,4-diazepane-1-carboxamide Openeye Name: N-[(4-fluorophenyl)methyl]-4-(4-nitrobenzoyl)-1,4-diazepane-1-carboxamide CAS Name: N-[(4-fluorophenyl)methyl]-4-[(4-nitrophenyl)-oxomethyl]-1,4-diazepane-1-carboxamide IUPAC Name: N-[(4-fluorophenyl)methyl]-4-(4-nitrobenzoyl)-1,4-diazepane-1-carboxamide Traditional Name: N-(4-fluorobenzyl)-4-(4-nitrobenzoyl)-1,4-diazepane-1-carboxamide Formula: C20H21FN4O4 MolecularWeight: 400.403543

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)NCC2=CC=C(C=C2)F)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN(C1)C(=O)NCC2=CC=C(C=C2)F)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21FN4O4/c21-17-6-2-15(3-7-17)14-22-20(27)24-11-1-10-23(12-13-24)19(26)16-4-8-18(9-5-16)25(28)29/h2-9H,1,10-14H2,(H,22,27)