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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O3/c1-16(17-9-5-4-6-10-17)22-21(25)18-11-12-19(20(15-18)24(26)27)23-13-7-2-3-8-14-23/h4-6,9-12,15-16H,2-3,7-8,13-14H2,1H3,(H,22,25)