N-[(6-morpholin-4-ylpyridin-3-yl)methyl]-5-oxidanylidene-7-phenyl-1,4-diazepane-1-carboxamide

Systemtic Name: N-[(6-morpholin-4-ylpyridin-3-yl)methyl]-5-oxidanylidene-7-phenyl-1,4-diazepane-1-carboxamide Openeye Name: N-[(6-morpholino-3-pyridyl)methyl]-5-oxo-7-phenyl-1,4-diazepane-1-carboxamide CAS Name: N-[[6-(4-morpholinyl)-3-pyridinyl]methyl]-5-oxo-7-phenyl-1,4-diazepane-1-carboxamide IUPAC Name: N-[(6-morpholin-4-ylpyridin-3-yl)methyl]-5-oxo-7-phenyl-1,4-diazepane-1-carboxamide Traditional Name: 5-keto-N-[(6-morpholino-3-pyridyl)methyl]-7-phenyl-1,4-diazepane-1-carboxamide Formula: C22H27N5O3 MolecularWeight: 409.48148

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CC(=O)N1)C2=CC=CC=C2)C(=O)NCC3=CN=C(C=C3)N4CCOCC4

Isomeric SMILES

C1CN(C(CC(=O)N1)C2=CC=CC=C2)C(=O)NCC3=CN=C(C=C3)N4CCOCC4

InChI

InChI=1S/C22H27N5O3/c28-21-14-19(18-4-2-1-3-5-18)27(9-8-23-21)22(29)25-16-17-6-7-20(24-15-17)26-10-12-30-13-11-26/h1-7,15,19H,8-14,16H2,(H,23,28)(H,25,29)