N-(7-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-phenyl-1,2,3-triazole-4-carboxamide

Systemtic Name: N-(7-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-phenyl-1,2,3-triazole-4-carboxamide Openeye Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-phenyl-triazole-4-carboxamide CAS Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-phenyl-4-triazolecarboxamide IUPAC Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-phenyltriazole-4-carboxamide Traditional Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-phenyl-triazole-4-carboxamide Formula: C18H15ClN4O3 MolecularWeight: 370.7897

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C(=C2)NC(=O)C3=NN(N=C3)C4=CC=CC=C4)Cl)OC1

Isomeric SMILES

C1COC2=C(C=C(C(=C2)NC(=O)C3=NN(N=C3)C4=CC=CC=C4)Cl)OC1

InChI

InChI=1S/C18H15ClN4O3/c19-13-9-16-17(26-8-4-7-25-16)10-14(13)21-18(24)15-11-20-23(22-15)12-5-2-1-3-6-12/h1-3,5-6,9-11H,4,7-8H2,(H,21,24)