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

Systemtic Name: N-(4-butan-2-ylphenyl)-4-[2-(oxan-4-yl)ethanoyl]-1,4-diazepane-1-carboxamide Openeye Name: N-(4-sec-butylphenyl)-4-(2-tetrahydropyran-4-ylacetyl)-1,4-diazepane-1-carboxamide CAS Name: N-(4-butan-2-ylphenyl)-4-[2-(4-oxanyl)-1-oxoethyl]-1,4-diazepane-1-carboxamide IUPAC Name: N-(4-butan-2-ylphenyl)-4-[2-(oxan-4-yl)acetyl]-1,4-diazepane-1-carboxamide Traditional Name: N-(4-sec-butylphenyl)-4-(2-tetrahydropyran-4-ylacetyl)-1,4-diazepane-1-carboxamide Formula: C23H35N3O3 MolecularWeight: 401.5423

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H35N3O3/c1-3-18(2)20-5-7-21(8-6-20)24-23(28)26-12-4-11-25(13-14-26)22(27)17-19-9-15-29-16-10-19/h5-8,18-19H,3-4,9-17H2,1-2H3,(H,24,28)