N-(4-butylphenyl)-4-(oxan-4-ylcarbonyl)-1,4-diazepane-1-carboxamide

Systemtic Name: N-(4-butylphenyl)-4-(oxan-4-ylcarbonyl)-1,4-diazepane-1-carboxamide Openeye Name: N-(4-butylphenyl)-4-(tetrahydropyran-4-carbonyl)-1,4-diazepane-1-carboxamide CAS Name: N-(4-butylphenyl)-4-[4-oxanyl(oxo)methyl]-1,4-diazepane-1-carboxamide IUPAC Name: N-(4-butylphenyl)-4-(oxane-4-carbonyl)-1,4-diazepane-1-carboxamide Traditional Name: N-(4-butylphenyl)-4-(tetrahydropyran-4-carbonyl)-1,4-diazepane-1-carboxamide Formula: C22H33N3O3 MolecularWeight: 387.51572

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)N2CCCN(CC2)C(=O)C3CCOCC3

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)N2CCCN(CC2)C(=O)C3CCOCC3

InChI

InChI=1S/C22H33N3O3/c1-2-3-5-18-6-8-20(9-7-18)23-22(27)25-13-4-12-24(14-15-25)21(26)19-10-16-28-17-11-19/h6-9,19H,2-5,10-17H2,1H3,(H,23,27)