4-[(4-tert-butylphenyl)methyl]-N-(4-nitrophenyl)-1,4-diazepane-1-carboxamide

Systemtic Name: 4-[(4-tert-butylphenyl)methyl]-N-(4-nitrophenyl)-1,4-diazepane-1-carboxamide Openeye Name: 4-[(4-tert-butylphenyl)methyl]-N-(4-nitrophenyl)-1,4-diazepane-1-carboxamide CAS Name: 4-[(4-tert-butylphenyl)methyl]-N-(4-nitrophenyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-[(4-tert-butylphenyl)methyl]-N-(4-nitrophenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-(4-tert-butylbenzyl)-N-(4-nitrophenyl)-1,4-diazepane-1-carboxamide Formula: C23H30N4O3 MolecularWeight: 410.5093

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N4O3/c1-23(2,3)19-7-5-18(6-8-19)17-25-13-4-14-26(16-15-25)22(28)24-20-9-11-21(12-10-20)27(29)30/h5-12H,4,13-17H2,1-3H3,(H,24,28)