N-tert-butyl-2-[4-[3-(4-ethylphenyl)propanoyl]-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[3-(4-ethylphenyl)propanoyl]-1,4-diazepan-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[3-(4-ethylphenyl)propanoyl]-1,4-diazepan-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[3-(4-ethylphenyl)-1-oxopropyl]-1,4-diazepan-1-yl]acetamide IUPAC Name: N-tert-butyl-2-[4-[3-(4-ethylphenyl)propanoyl]-1,4-diazepan-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[3-(4-ethylphenyl)propanoyl]-1,4-diazepan-1-yl]acetamide Formula: C22H35N3O2 MolecularWeight: 373.5322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H35N3O2/c1-5-18-7-9-19(10-8-18)11-12-21(27)25-14-6-13-24(15-16-25)17-20(26)23-22(2,3)4/h7-10H,5-6,11-17H2,1-4H3,(H,23,26)