4-[2-(oxan-4-yl)ethanoyl]-N-(4-propan-2-ylphenyl)-1,4-diazepane-1-carboxamide

Systemtic Name: 4-[2-(oxan-4-yl)ethanoyl]-N-(4-propan-2-ylphenyl)-1,4-diazepane-1-carboxamide Openeye Name: N-(4-isopropylphenyl)-4-(2-tetrahydropyran-4-ylacetyl)-1,4-diazepane-1-carboxamide CAS Name: 4-[2-(4-oxanyl)-1-oxoethyl]-N-(4-propan-2-ylphenyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-[2-(oxan-4-yl)acetyl]-N-(4-propan-2-ylphenyl)-1,4-diazepane-1-carboxamide Traditional Name: N-p-cumenyl-4-(2-tetrahydropyran-4-ylacetyl)-1,4-diazepane-1-carboxamide Formula: C22H33N3O3 MolecularWeight: 387.51572

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=O)N2CCCN(CC2)C(=O)CC3CCOCC3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC(=O)N2CCCN(CC2)C(=O)CC3CCOCC3

InChI

InChI=1S/C22H33N3O3/c1-17(2)19-4-6-20(7-5-19)23-22(27)25-11-3-10-24(12-13-25)21(26)16-18-8-14-28-15-9-18/h4-7,17-18H,3,8-16H2,1-2H3,(H,23,27)