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

Systemtic Name: N-[2-(azepan-1-yl)phenyl]-3-methyl-2-nitro-benzamide Openeye Name: N-[2-(azepan-1-yl)phenyl]-3-methyl-2-nitro-benzamide CAS Name: N-[2-(1-azepanyl)phenyl]-3-methyl-2-nitrobenzamide IUPAC Name: N-[2-(azepan-1-yl)phenyl]-3-methyl-2-nitrobenzamide Traditional Name: N-[2-(azepan-1-yl)phenyl]-3-methyl-2-nitro-benzamide Formula: C20H23N3O3 MolecularWeight: 353.41492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)NC2=CC=CC=C2N3CCCCCC3

Isomeric SMILES

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)NC2=CC=CC=C2N3CCCCCC3

InChI

InChI=1S/C20H23N3O3/c1-15-9-8-10-16(19(15)23(25)26)20(24)21-17-11-4-5-12-18(17)22-13-6-2-3-7-14-22/h4-5,8-12H,2-3,6-7,13-14H2,1H3,(H,21,24)