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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O3/c26-22(20-9-3-4-10-21(20)25(27)28)23-15-7-8-18-11-13-19(14-12-18)24-16-5-1-2-6-17-24/h3-4,9-14H,1-2,5-8,15-17H2,(H,23,26)