4-(azepan-1-ylcarbonyl)benzamide; hexanediamide

Systemtic Name: 4-(azepan-1-ylcarbonyl)benzamide; hexanediamide Openeye Name: 4-(azepane-1-carbonyl)benzamide; hexanediamide CAS Name: 4-[1-azepanyl(oxo)methyl]benzamide; hexanediamide IUPAC Name: 4-(azepane-1-carbonyl)benzamide; hexanediamide Traditional Name: adipamide; 4-(azepane-1-carbonyl)benzamide Formula: C20H30N4O4 MolecularWeight: 390.4766

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC=C(C=C2)C(=O)N.C(CCC(=O)N)CC(=O)N

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC=C(C=C2)C(=O)N.C(CCC(=O)N)CC(=O)N

InChI

InChI=1S/C14H18N2O2.C6H12N2O2/c15-13(17)11-5-7-12(8-6-11)14(18)16-9-3-1-2-4-10-16;7-5(9)3-1-2-4-6(8)10/h5-8H,1-4,9-10H2,(H2,15,17);1-4H2,(H2,7,9)(H2,8,10)