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

Systemtic Name: N-[3-[4-(azepan-1-yl)phenyl]propyl]-4-nitro-benzamide Openeye Name: N-[3-[4-(azepan-1-yl)phenyl]propyl]-4-nitro-benzamide CAS Name: N-[3-[4-(1-azepanyl)phenyl]propyl]-4-nitrobenzamide IUPAC Name: N-[3-[4-(azepan-1-yl)phenyl]propyl]-4-nitrobenzamide Traditional Name: N-[3-[4-(azepan-1-yl)phenyl]propyl]-4-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=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O3/c26-22(19-9-13-21(14-10-19)25(27)28)23-15-5-6-18-7-11-20(12-8-18)24-16-3-1-2-4-17-24/h7-14H,1-6,15-17H2,(H,23,26)