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

Systemtic Name: N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Openeye Name: N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide CAS Name: N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide IUPAC Name: N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Traditional Name: N-[4-(1,2,4-triazol-1-ylmethyl)benzyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide Formula: C20H20N4O3 MolecularWeight: 364.3978

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)NCC3=CC=C(C=C3)CN4C=NC=N4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)NCC3=CC=C(C=C3)CN4C=NC=N4)OC1

InChI

InChI=1S/C20H20N4O3/c25-20(17-6-7-18-19(10-17)27-9-1-8-26-18)22-11-15-2-4-16(5-3-15)12-24-14-21-13-23-24/h2-7,10,13-14H,1,8-9,11-12H2,(H,22,25)