1-butyl-6-[(2-nitrophenyl)methyl]-1,4-diazepane

Systemtic Name: 1-butyl-6-[(2-nitrophenyl)methyl]-1,4-diazepane Openeye Name: 1-butyl-6-[(2-nitrophenyl)methyl]-1,4-diazepane CAS Name: 1-butyl-6-[(2-nitrophenyl)methyl]-1,4-diazepane IUPAC Name: 1-butyl-6-[(2-nitrophenyl)methyl]-1,4-diazepane Traditional Name: 1-butyl-6-(2-nitrobenzyl)-1,4-diazepane Formula: C16H25N3O2 MolecularWeight: 291.3886

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCNCC(C1)CC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCCCN1CCNCC(C1)CC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C16H25N3O2/c1-2-3-9-18-10-8-17-12-14(13-18)11-15-6-4-5-7-16(15)19(20)21/h4-7,14,17H,2-3,8-13H2,1H3