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

Systemtic Name: N-[2-[4-(azepan-1-yl)phenyl]ethyl]-2-methyl-3-nitro-benzamide Openeye Name: N-[2-[4-(azepan-1-yl)phenyl]ethyl]-2-methyl-3-nitro-benzamide CAS Name: N-[2-[4-(1-azepanyl)phenyl]ethyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[2-[4-(azepan-1-yl)phenyl]ethyl]-2-methyl-3-nitrobenzamide Traditional Name: N-[2-[4-(azepan-1-yl)phenyl]ethyl]-2-methyl-3-nitro-benzamide Formula: C22H27N3O3 MolecularWeight: 381.46808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NCCC2=CC=C(C=C2)N3CCCCCC3

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NCCC2=CC=C(C=C2)N3CCCCCC3

InChI

InChI=1S/C22H27N3O3/c1-17-20(7-6-8-21(17)25(27)28)22(26)23-14-13-18-9-11-19(12-10-18)24-15-4-2-3-5-16-24/h6-12H,2-5,13-16H2,1H3,(H,23,26)