N-tert-butyl-2-[4-[2-(3-nitrophenoxy)ethyl]-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[2-(3-nitrophenoxy)ethyl]-1,4-diazepan-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[2-(3-nitrophenoxy)ethyl]-1,4-diazepan-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[2-(3-nitrophenoxy)ethyl]-1,4-diazepan-1-yl]acetamide IUPAC Name: N-tert-butyl-2-[4-[2-(3-nitrophenoxy)ethyl]-1,4-diazepan-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[2-(3-nitrophenoxy)ethyl]-1,4-diazepan-1-yl]acetamide Formula: C19H30N4O4 MolecularWeight: 378.4659

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CN1CCCN(CC1)CCOC2=CC=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NC(=O)CN1CCCN(CC1)CCOC2=CC=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H30N4O4/c1-19(2,3)20-18(24)15-22-9-5-8-21(10-11-22)12-13-27-17-7-4-6-16(14-17)23(25)26/h4,6-7,14H,5,8-13,15H2,1-3H3,(H,20,24)