4-(azepan-1-ylcarbonyl)benzamide; benzene-1,3-dicarboxamide; cyclohexane-1,4-dicarboxamide

Systemtic Name: 4-(azepan-1-ylcarbonyl)benzamide; benzene-1,3-dicarboxamide; cyclohexane-1,4-dicarboxamide Openeye Name: 4-(azepane-1-carbonyl)benzamide; benzene-1,3-dicarboxamide; cyclohexane-1,4-dicarboxamide CAS Name: 4-[1-azepanyl(oxo)methyl]benzamide; benzene-1,3-dicarboxamide; cyclohexane-1,4-dicarboxamide IUPAC Name: 4-(azepane-1-carbonyl)benzamide; benzene-1,3-dicarboxamide; cyclohexane-1,4-dicarboxamide Traditional Name: 4-(azepane-1-carbonyl)benzamide; cyclohexane-1,4-dicarboxamide; isophthalamide Formula: C30H40N6O6 MolecularWeight: 580.6752

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC=C(C=C2)C(=O)N.C1CC(CCC1C(=O)N)C(=O)N.C1=CC(=CC(=C1)C(=O)N)C(=O)N

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC=C(C=C2)C(=O)N.C1CC(CCC1C(=O)N)C(=O)N.C1=CC(=CC(=C1)C(=O)N)C(=O)N

InChI

InChI=1S/C14H18N2O2.C8H14N2O2.C8H8N2O2/c15-13(17)11-5-7-12(8-6-11)14(18)16-9-3-1-2-4-10-16;9-7(11)5-1-2-6(4-3-5)8(10)12;9-7(11)5-2-1-3-6(4-5)8(10)12/h5-8H,1-4,9-10H2,(H2,15,17);5-6H,1-4H2,(H2,9,11)(H2,10,12);1-4H,(H2,9,11)(H2,10,12)