N-[[6-(diethylamino)pyridin-3-yl]methyl]-4-ethanoyl-1,4-diazepane-1-carboxamide

Systemtic Name: N-[[6-(diethylamino)pyridin-3-yl]methyl]-4-ethanoyl-1,4-diazepane-1-carboxamide Openeye Name: 4-acetyl-N-[[6-(diethylamino)-3-pyridyl]methyl]-1,4-diazepane-1-carboxamide CAS Name: 4-acetyl-N-[[6-(diethylamino)-3-pyridinyl]methyl]-1,4-diazepane-1-carboxamide IUPAC Name: 4-acetyl-N-[[6-(diethylamino)pyridin-3-yl]methyl]-1,4-diazepane-1-carboxamide Traditional Name: 4-acetyl-N-[[6-(diethylamino)-3-pyridyl]methyl]-1,4-diazepane-1-carboxamide Formula: C18H29N5O2 MolecularWeight: 347.45516

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=NC=C(C=C1)CNC(=O)N2CCCN(CC2)C(=O)C

Isomeric SMILES

CCN(CC)C1=NC=C(C=C1)CNC(=O)N2CCCN(CC2)C(=O)C

InChI

InChI=1S/C18H29N5O2/c1-4-21(5-2)17-8-7-16(13-19-17)14-20-18(25)23-10-6-9-22(11-12-23)15(3)24/h7-8,13H,4-6,9-12,14H2,1-3H3,(H,20,25)