N5-(7-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide

Systemtic Name: N5-(7-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide Openeye Name: N5-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide CAS Name: N5-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide IUPAC Name: 5-N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide Traditional Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-phenyl-2-pyrazoline-3,5-dicarboxamide Formula: C20H19ClN4O4 MolecularWeight: 414.84226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClN4O4/c21-13-9-17-18(29-8-4-7-28-17)11-14(13)23-20(27)15-10-16(19(22)26)25(24-15)12-5-2-1-3-6-12/h1-3,5-6,9,11,16H,4,7-8,10H2,(H2,22,26)(H,23,27)