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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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