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

Systemtic Name: N-(3-aminocarbonyl-4-chloranyl-phenyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazole-4-carboxamide Openeye Name: N-(3-carbamoyl-4-chloro-phenyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazole-4-carboxamide CAS Name: N-(3-carbamoyl-4-chlorophenyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-4-pyrazolecarboxamide IUPAC Name: N-(3-carbamoyl-4-chlorophenyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpyrazole-4-carboxamide Traditional Name: N-(3-carbamoyl-4-chloro-phenyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazole-4-carboxamide Formula: C21H19ClN4O4 MolecularWeight: 426.85296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)C(=O)NC4=CC(=C(C=C4)Cl)C(=O)N

Isomeric SMILES

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)C(=O)NC4=CC(=C(C=C4)Cl)C(=O)N

InChI

InChI=1S/C21H19ClN4O4/c1-26-11-15(21(28)24-13-4-5-16(22)14(10-13)20(23)27)19(25-26)12-3-6-17-18(9-12)30-8-2-7-29-17/h3-6,9-11H,2,7-8H2,1H3,(H2,23,27)(H,24,28)