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

Systemtic Name: N-[3-[4-(azepan-1-yl)phenyl]propyl]-3-nitro-benzamide Openeye Name: N-[3-[4-(azepan-1-yl)phenyl]propyl]-3-nitro-benzamide CAS Name: N-[3-[4-(1-azepanyl)phenyl]propyl]-3-nitrobenzamide IUPAC Name: N-[3-[4-(azepan-1-yl)phenyl]propyl]-3-nitrobenzamide Traditional Name: N-[3-[4-(azepan-1-yl)phenyl]propyl]-3-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(19-8-5-9-21(17-19)25(27)28)23-14-6-7-18-10-12-20(13-11-18)24-15-3-1-2-4-16-24/h5,8-13,17H,1-4,6-7,14-16H2,(H,23,26)