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

Systemtic Name: N-[2-methyl-3-(1,2,3,4-tetrazol-1-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Openeye Name: N-[2-methyl-3-(tetrazol-1-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide CAS Name: N-[2-methyl-3-(1-tetrazolyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide IUPAC Name: N-[2-methyl-3-(tetrazol-1-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Traditional Name: N-[2-methyl-3-(tetrazol-1-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide Formula: C18H17N5O3 MolecularWeight: 351.35928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)C2=CC3=C(C=C2)OCCCO3)N4C=NN=N4

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)C2=CC3=C(C=C2)OCCCO3)N4C=NN=N4

InChI

InChI=1S/C18H17N5O3/c1-12-14(4-2-5-15(12)23-11-19-21-22-23)20-18(24)13-6-7-16-17(10-13)26-9-3-8-25-16/h2,4-7,10-11H,3,8-9H2,1H3,(H,20,24)