N-[4-methoxy-3-(1,2,3,4-tetrazol-1-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide

Systemtic Name: N-[4-methoxy-3-(1,2,3,4-tetrazol-1-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Openeye Name: N-[4-methoxy-3-(tetrazol-1-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide CAS Name: N-[4-methoxy-3-(1-tetrazolyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide IUPAC Name: N-[4-methoxy-3-(tetrazol-1-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Traditional Name: N-[4-methoxy-3-(tetrazol-1-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide Formula: C18H17N5O4 MolecularWeight: 367.35868

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)OCCCO3)N4C=NN=N4

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)OCCCO3)N4C=NN=N4

InChI

InChI=1S/C18H17N5O4/c1-25-15-6-4-13(10-14(15)23-11-19-21-22-23)20-18(24)12-3-5-16-17(9-12)27-8-2-7-26-16/h3-6,9-11H,2,7-8H2,1H3,(H,20,24)