N9-(2-azanylethyl)-N4-[bis(azanyl)methylidene]-2,3-dihydro-1-benzoxepine-4,9-dicarboxamide

Systemtic Name: N9-(2-azanylethyl)-N4-[bis(azanyl)methylidene]-2,3-dihydro-1-benzoxepine-4,9-dicarboxamide Openeye Name: N9-(2-aminoethyl)-N4-(diaminomethylene)-2,3-dihydro-1-benzoxepine-4,9-dicarboxamide CAS Name: N9-(2-aminoethyl)-N4-(diaminomethylidene)-2,3-dihydro-1-benzoxepin-4,9-dicarboxamide IUPAC Name: 9-N-(2-aminoethyl)-4-N-(diaminomethylidene)-2,3-dihydro-1-benzoxepine-4,9-dicarboxamide Traditional Name: N'-(2-aminoethyl)-N-(diaminomethylene)-2,3-dihydro-1-benzoxepin-4,9-dicarboxamide Formula: C15H19N5O3 MolecularWeight: 317.34306

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=CC=C2C(=O)NCCN)C=C1C(=O)N=C(N)N

Isomeric SMILES

C1COC2=C(C=CC=C2C(=O)NCCN)C=C1C(=O)N=C(N)N

InChI

InChI=1S/C15H19N5O3/c16-5-6-19-14(22)11-3-1-2-9-8-10(4-7-23-12(9)11)13(21)20-15(17)18/h1-3,8H,4-7,16H2,(H,19,22)(H4,17,18,20,21)