N-[bis(azanyl)methylidene]-9-(2-oxidanylidenepyrrolidin-1-yl)-2,3-dihydro-1-benzoxepine-4-carboxamide

Systemtic Name: N-[bis(azanyl)methylidene]-9-(2-oxidanylidenepyrrolidin-1-yl)-2,3-dihydro-1-benzoxepine-4-carboxamide Openeye Name: N-(diaminomethylene)-9-(2-oxopyrrolidin-1-yl)-2,3-dihydro-1-benzoxepine-4-carboxamide CAS Name: N-(diaminomethylidene)-9-(2-oxo-1-pyrrolidinyl)-2,3-dihydro-1-benzoxepin-4-carboxamide IUPAC Name: N-(diaminomethylidene)-9-(2-oxopyrrolidin-1-yl)-2,3-dihydro-1-benzoxepine-4-carboxamide Traditional Name: N-(diaminomethylene)-9-(2-ketopyrrolidino)-2,3-dihydro-1-benzoxepin-4-carboxamide Formula: C16H18N4O3 MolecularWeight: 314.33912

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC=CC3=C2OCCC(=C3)C(=O)N=C(N)N

Isomeric SMILES

C1CC(=O)N(C1)C2=CC=CC3=C2OCCC(=C3)C(=O)N=C(N)N

InChI

InChI=1S/C16H18N4O3/c17-16(18)19-15(22)11-6-8-23-14-10(9-11)3-1-4-12(14)20-7-2-5-13(20)21/h1,3-4,9H,2,5-8H2,(H4,17,18,19,22)