2-(4-methoxyphenyl)-N-(4-nitrophenyl)azepane-1-carboxamide

Systemtic Name: 2-(4-methoxyphenyl)-N-(4-nitrophenyl)azepane-1-carboxamide Openeye Name: 2-(4-methoxyphenyl)-N-(4-nitrophenyl)azepane-1-carboxamide CAS Name: 2-(4-methoxyphenyl)-N-(4-nitrophenyl)-1-azepanecarboxamide IUPAC Name: 2-(4-methoxyphenyl)-N-(4-nitrophenyl)azepane-1-carboxamide Traditional Name: 2-(4-methoxyphenyl)-N-(4-nitrophenyl)azepane-1-carboxamide Formula: C20H23N3O4 MolecularWeight: 369.41432

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCCN2C(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2CCCCCN2C(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O4/c1-27-18-12-6-15(7-13-18)19-5-3-2-4-14-22(19)20(24)21-16-8-10-17(11-9-16)23(25)26/h6-13,19H,2-5,14H2,1H3,(H,21,24)