N-[2-[4-(azepan-1-yl)phenyl]ethyl]-2-chloranyl-5-nitro-benzamide

Systemtic Name: N-[2-[4-(azepan-1-yl)phenyl]ethyl]-2-chloranyl-5-nitro-benzamide Openeye Name: N-[2-[4-(azepan-1-yl)phenyl]ethyl]-2-chloro-5-nitro-benzamide CAS Name: N-[2-[4-(1-azepanyl)phenyl]ethyl]-2-chloro-5-nitrobenzamide IUPAC Name: N-[2-[4-(azepan-1-yl)phenyl]ethyl]-2-chloro-5-nitrobenzamide Traditional Name: N-[2-[4-(azepan-1-yl)phenyl]ethyl]-2-chloro-5-nitro-benzamide Formula: C21H24ClN3O3 MolecularWeight: 401.88656

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(C=C2)CCNC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C=C2)CCNC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H24ClN3O3/c22-20-10-9-18(25(27)28)15-19(20)21(26)23-12-11-16-5-7-17(8-6-16)24-13-3-1-2-4-14-24/h5-10,15H,1-4,11-14H2,(H,23,26)