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

Systemtic Name: 4-ethanoyl-N-[(6-pyrrolidin-1-ylpyridin-3-yl)methyl]-1,4-diazepane-1-carboxamide Openeye Name: 4-acetyl-N-[(6-pyrrolidin-1-yl-3-pyridyl)methyl]-1,4-diazepane-1-carboxamide CAS Name: 4-acetyl-N-[[6-(1-pyrrolidinyl)-3-pyridinyl]methyl]-1,4-diazepane-1-carboxamide IUPAC Name: 4-acetyl-N-[(6-pyrrolidin-1-ylpyridin-3-yl)methyl]-1,4-diazepane-1-carboxamide Traditional Name: 4-acetyl-N-[(6-pyrrolidino-3-pyridyl)methyl]-1,4-diazepane-1-carboxamide Formula: C18H27N5O2 MolecularWeight: 345.43928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCN(CC1)C(=O)NCC2=CN=C(C=C2)N3CCCC3

Isomeric SMILES

CC(=O)N1CCCN(CC1)C(=O)NCC2=CN=C(C=C2)N3CCCC3

InChI

InChI=1S/C18H27N5O2/c1-15(24)21-9-4-10-23(12-11-21)18(25)20-14-16-5-6-17(19-13-16)22-7-2-3-8-22/h5-6,13H,2-4,7-12,14H2,1H3,(H,20,25)