4-(azepan-1-yl)-3-nitro-N-[2-(phenethylcarbamoyl)phenyl]benzamide

Systemtic Name: 4-(azepan-1-yl)-3-nitro-N-[2-(phenethylcarbamoyl)phenyl]benzamide Openeye Name: 4-(azepan-1-yl)-3-nitro-N-[2-(phenethylcarbamoyl)phenyl]benzamide CAS Name: 4-(1-azepanyl)-3-nitro-N-[2-[oxo-(phenethylamino)methyl]phenyl]benzamide IUPAC Name: 4-(azepan-1-yl)-3-nitro-N-[2-(phenethylcarbamoyl)phenyl]benzamide Traditional Name: 4-(azepan-1-yl)-3-nitro-N-[2-(phenethylcarbamoyl)phenyl]benzamide Formula: C28H30N4O4 MolecularWeight: 486.5622

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC=CC=C3C(=O)NCCC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC=CC=C3C(=O)NCCC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C28H30N4O4/c33-27(22-14-15-25(26(20-22)32(35)36)31-18-8-1-2-9-19-31)30-24-13-7-6-12-23(24)28(34)29-17-16-21-10-4-3-5-11-21/h3-7,10-15,20H,1-2,8-9,16-19H2,(H,29,34)(H,30,33)