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

Systemtic Name: N5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide Openeye Name: N5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide CAS Name: N5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide IUPAC Name: 5-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-phenyl-2-pyrazoline-3,5-dicarboxamide Formula: C20H20N4O4 MolecularWeight: 380.3972

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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)OC1

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O4/c21-19(25)16-12-15(23-24(16)14-5-2-1-3-6-14)20(26)22-13-7-8-17-18(11-13)28-10-4-9-27-17/h1-3,5-8,11,16H,4,9-10,12H2,(H2,21,25)(H,22,26)