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

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

CCCCC1=CC=C(C=C1)NC(=O)N2CCCN(CC2)C(=O)CC3CCOCC3

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)N2CCCN(CC2)C(=O)CC3CCOCC3

InChI

InChI=1S/C23H35N3O3/c1-2-3-5-19-6-8-21(9-7-19)24-23(28)26-13-4-12-25(14-15-26)22(27)18-20-10-16-29-17-11-20/h6-9,20H,2-5,10-18H2,1H3,(H,24,28)