4-(azepan-1-yl)-3-nitro-N-phenethyl-benzamide

Systemtic Name: 4-(azepan-1-yl)-3-nitro-N-phenethyl-benzamide Openeye Name: 4-(azepan-1-yl)-3-nitro-N-phenethyl-benzamide CAS Name: 4-(1-azepanyl)-3-nitro-N-phenethylbenzamide IUPAC Name: 4-(azepan-1-yl)-3-nitro-N-phenethylbenzamide Traditional Name: 4-(azepan-1-yl)-3-nitro-N-phenethyl-benzamide Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NCCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NCCC3=CC=CC=C3)[N+](=O)[O-]

InChI

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