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

Systemtic Name: 4-(azepan-1-yl)-N-[(2-chlorophenyl)methyl]-N-methyl-3-nitro-benzamide Openeye Name: 4-(azepan-1-yl)-N-[(2-chlorophenyl)methyl]-N-methyl-3-nitro-benzamide CAS Name: 4-(1-azepanyl)-N-[(2-chlorophenyl)methyl]-N-methyl-3-nitrobenzamide IUPAC Name: 4-(azepan-1-yl)-N-[(2-chlorophenyl)methyl]-N-methyl-3-nitrobenzamide Traditional Name: 4-(azepan-1-yl)-N-(2-chlorobenzyl)-N-methyl-3-nitro-benzamide Formula: C21H24ClN3O3 MolecularWeight: 401.88656

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1Cl)C(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CC=CC=C1Cl)C(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H24ClN3O3/c1-23(15-17-8-4-5-9-18(17)22)21(26)16-10-11-19(20(14-16)25(27)28)24-12-6-2-3-7-13-24/h4-5,8-11,14H,2-3,6-7,12-13,15H2,1H3