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

Systemtic Name: N-(4-ethylphenyl)-4-[2-(oxan-4-yl)ethanoyl]-1,4-diazepane-1-carboxamide Openeye Name: N-(4-ethylphenyl)-4-(2-tetrahydropyran-4-ylacetyl)-1,4-diazepane-1-carboxamide CAS Name: N-(4-ethylphenyl)-4-[2-(4-oxanyl)-1-oxoethyl]-1,4-diazepane-1-carboxamide IUPAC Name: N-(4-ethylphenyl)-4-[2-(oxan-4-yl)acetyl]-1,4-diazepane-1-carboxamide Traditional Name: N-(4-ethylphenyl)-4-(2-tetrahydropyran-4-ylacetyl)-1,4-diazepane-1-carboxamide Formula: C21H31N3O3 MolecularWeight: 373.48914

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)N2CCCN(CC2)C(=O)CC3CCOCC3

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)N2CCCN(CC2)C(=O)CC3CCOCC3

InChI

InChI=1S/C21H31N3O3/c1-2-17-4-6-19(7-5-17)22-21(26)24-11-3-10-23(12-13-24)20(25)16-18-8-14-27-15-9-18/h4-7,18H,2-3,8-16H2,1H3,(H,22,26)