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

Systemtic Name: N-[3-chloranyl-4-(2-methylpropoxy)phenyl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazole-4-carboxamide Openeye Name: N-(3-chloro-4-isobutoxy-phenyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazole-4-carboxamide CAS Name: N-[3-chloro-4-(2-methylpropoxy)phenyl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-4-pyrazolecarboxamide IUPAC Name: N-[3-chloro-4-(2-methylpropoxy)phenyl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpyrazole-4-carboxamide Traditional Name: N-(3-chloro-4-isobutoxy-phenyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazole-4-carboxamide Formula: C24H26ClN3O4 MolecularWeight: 455.93394

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)NC(=O)C2=CN(N=C2C3=CC4=C(C=C3)OCCCO4)C)Cl

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)NC(=O)C2=CN(N=C2C3=CC4=C(C=C3)OCCCO4)C)Cl

InChI

InChI=1S/C24H26ClN3O4/c1-15(2)14-32-20-8-6-17(12-19(20)25)26-24(29)18-13-28(3)27-23(18)16-5-7-21-22(11-16)31-10-4-9-30-21/h5-8,11-13,15H,4,9-10,14H2,1-3H3,(H,26,29)