N-(4-acetamido-3-chloranyl-phenyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazole-4-carboxamide

Systemtic Name: N-(4-acetamido-3-chloranyl-phenyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazole-4-carboxamide Openeye Name: N-(4-acetamido-3-chloro-phenyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazole-4-carboxamide CAS Name: N-(4-acetamido-3-chlorophenyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-4-pyrazolecarboxamide IUPAC Name: N-(4-acetamido-3-chlorophenyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpyrazole-4-carboxamide Traditional Name: N-(4-acetamido-3-chloro-phenyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazole-4-carboxamide Formula: C22H21ClN4O4 MolecularWeight: 440.87954

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)NC(=O)C2=CN(N=C2C3=CC4=C(C=C3)OCCCO4)C)Cl

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)NC(=O)C2=CN(N=C2C3=CC4=C(C=C3)OCCCO4)C)Cl

InChI

InChI=1S/C22H21ClN4O4/c1-13(28)24-18-6-5-15(11-17(18)23)25-22(29)16-12-27(2)26-21(16)14-4-7-19-20(10-14)31-9-3-8-30-19/h4-7,10-12H,3,8-9H2,1-2H3,(H,24,28)(H,25,29)