N-(2,6-diethylphenyl)-2-(4-prop-2-ynoyl-1,4-diazepan-1-yl)ethanamide

Systemtic Name: N-(2,6-diethylphenyl)-2-(4-prop-2-ynoyl-1,4-diazepan-1-yl)ethanamide Openeye Name: N-(2,6-diethylphenyl)-2-(4-prop-2-ynoyl-1,4-diazepan-1-yl)acetamide CAS Name: N-(2,6-diethylphenyl)-2-[4-(1-oxoprop-2-ynyl)-1,4-diazepan-1-yl]acetamide IUPAC Name: N-(2,6-diethylphenyl)-2-(4-prop-2-ynoyl-1,4-diazepan-1-yl)acetamide Traditional Name: N-(2,6-diethylphenyl)-2-(4-propioloyl-1,4-diazepan-1-yl)acetamide Formula: C20H27N3O2 MolecularWeight: 341.44728

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)CN2CCCN(CC2)C(=O)C#C

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)CN2CCCN(CC2)C(=O)C#C

InChI

InChI=1S/C20H27N3O2/c1-4-16-9-7-10-17(5-2)20(16)21-18(24)15-22-11-8-12-23(14-13-22)19(25)6-3/h3,7,9-10H,4-5,8,11-15H2,1-2H3,(H,21,24)