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

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-heptan-2-yl-1-methyl-pyrazole-4-carboxamide Openeye Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-(1-methylhexyl)pyrazole-4-carboxamide CAS Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-heptan-2-yl-1-methyl-4-pyrazolecarboxamide IUPAC Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-heptan-2-yl-1-methylpyrazole-4-carboxamide Traditional Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-(1-methylhexyl)pyrazole-4-carboxamide Formula: C21H29N3O3 MolecularWeight: 371.47326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)C1=CN(N=C1C2=CC3=C(C=C2)OCCCO3)C

Isomeric SMILES

CCCCCC(C)NC(=O)C1=CN(N=C1C2=CC3=C(C=C2)OCCCO3)C

InChI

InChI=1S/C21H29N3O3/c1-4-5-6-8-15(2)22-21(25)17-14-24(3)23-20(17)16-9-10-18-19(13-16)27-12-7-11-26-18/h9-10,13-15H,4-8,11-12H2,1-3H3,(H,22,25)