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

Systemtic Name: N4-[bis(azanyl)methylidene]-N9-(2-dimethylaminoethyl)-2,3-dihydro-1-benzoxepine-4,9-dicarboxamide Openeye Name: N4-(diaminomethylene)-N9-(2-dimethylaminoethyl)-2,3-dihydro-1-benzoxepine-4,9-dicarboxamide CAS Name: N4-(diaminomethylidene)-N9-(2-dimethylaminoethyl)-2,3-dihydro-1-benzoxepin-4,9-dicarboxamide IUPAC Name: 4-N-(diaminomethylidene)-9-N-(2-dimethylaminoethyl)-2,3-dihydro-1-benzoxepine-4,9-dicarboxamide Traditional Name: N-(diaminomethylene)-N'-(2-dimethylaminoethyl)-2,3-dihydro-1-benzoxepin-4,9-dicarboxamide Formula: C17H23N5O3 MolecularWeight: 345.39622

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC(=O)C1=CC=CC2=C1OCCC(=C2)C(=O)N=C(N)N

Isomeric SMILES

CN(C)CCNC(=O)C1=CC=CC2=C1OCCC(=C2)C(=O)N=C(N)N

InChI

InChI=1S/C17H23N5O3/c1-22(2)8-7-20-16(24)13-5-3-4-11-10-12(6-9-25-14(11)13)15(23)21-17(18)19/h3-5,10H,6-9H2,1-2H3,(H,20,24)(H4,18,19,21,23)