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

Systemtic Name: N-[3-(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Openeye Name: N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide CAS Name: N-[3-(1-cyclopropyl-5-tetrazolyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide IUPAC Name: N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Traditional Name: N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide Formula: C20H19N5O3 MolecularWeight: 377.39656

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)NC3=CC=CC(=C3)C4=NN=NN4C5CC5)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)NC3=CC=CC(=C3)C4=NN=NN4C5CC5)OC1

InChI

InChI=1S/C20H19N5O3/c26-20(14-5-8-17-18(12-14)28-10-2-9-27-17)21-15-4-1-3-13(11-15)19-22-23-24-25(19)16-6-7-16/h1,3-5,8,11-12,16H,2,6-7,9-10H2,(H,21,26)