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

Systemtic Name: N-[2-[4-(azepan-1-yl)phenyl]ethyl]-2-nitro-benzamide Openeye Name: N-[2-[4-(azepan-1-yl)phenyl]ethyl]-2-nitro-benzamide CAS Name: N-[2-[4-(1-azepanyl)phenyl]ethyl]-2-nitrobenzamide IUPAC Name: N-[2-[4-(azepan-1-yl)phenyl]ethyl]-2-nitrobenzamide Traditional Name: N-[2-[4-(azepan-1-yl)phenyl]ethyl]-2-nitro-benzamide Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O3/c25-21(19-7-3-4-8-20(19)24(26)27)22-14-13-17-9-11-18(12-10-17)23-15-5-1-2-6-16-23/h3-4,7-12H,1-2,5-6,13-16H2,(H,22,25)